data_16218 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13CA, and 15N Chemical Shifts Assignments and 15N T1 and T2 Relaxation Parameters for the N-terminal (1-119) Fragment of sperm whale apomyoglobin in the presence of DnaK-beta ; _BMRB_accession_number 16218 _BMRB_flat_file_name bmr16218.str _Entry_type original _Submission_date 2009-03-17 _Accession_date 2009-03-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rajagopalan Senapathy . . 2 Cavagnero Silvia . . 3 Kurt Nese . . 4 Kwon Jay . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 35 "13C chemical shifts" 38 "15N chemical shifts" 35 "T1 relaxation values" 23 "T2 relaxation values" 23 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-06 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 16217 'apoMb(1-119) fragment in the presence of DnaK-beta' stop_ _Original_release_date 2012-08-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone Dynamics of a Large Chaperone-Free and Chaperone-Bound Hsp70 Substrate' _Citation_status submitted _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rajagopalan Senapathy . . 2 Cavagnero Silvia . . 3 Kurt Nese . . 4 Kwon Jay . . stop_ _Journal_abbreviation 'Arch. Biochem. Biophys.' _Journal_name_full 'Archives of Biochemistry and Biophysics' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'apoMb(1-119) fragment' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label apoMb_1-119_fragment $apomyoglobin stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_apomyoglobin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common apoMb_1-119_fragment _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; VLSEGEWQLVLHVWAKVEAD VAGHGQDILIRLFKSHPETL EKFDRFKHLKTEAEMKASED LKKHGVTVLTALGAILKKKG HHEAELKPLAQSHATKHKIP IKYLEFISEAIIHVLHSRH ; loop_ _Residue_seq_code _Residue_label 1 VAL 2 LEU 3 SER 4 GLU 5 GLY 6 GLU 7 TRP 8 GLN 9 LEU 10 VAL 11 LEU 12 HIS 13 VAL 14 TRP 15 ALA 16 LYS 17 VAL 18 GLU 19 ALA 20 ASP 21 VAL 22 ALA 23 GLY 24 HIS 25 GLY 26 GLN 27 ASP 28 ILE 29 LEU 30 ILE 31 ARG 32 LEU 33 PHE 34 LYS 35 SER 36 HIS 37 PRO 38 GLU 39 THR 40 LEU 41 GLU 42 LYS 43 PHE 44 ASP 45 ARG 46 PHE 47 LYS 48 HIS 49 LEU 50 LYS 51 THR 52 GLU 53 ALA 54 GLU 55 MET 56 LYS 57 ALA 58 SER 59 GLU 60 ASP 61 LEU 62 LYS 63 LYS 64 HIS 65 GLY 66 VAL 67 THR 68 VAL 69 LEU 70 THR 71 ALA 72 LEU 73 GLY 74 ALA 75 ILE 76 LEU 77 LYS 78 LYS 79 LYS 80 GLY 81 HIS 82 HIS 83 GLU 84 ALA 85 GLU 86 LEU 87 LYS 88 PRO 89 LEU 90 ALA 91 GLN 92 SER 93 HIS 94 ALA 95 THR 96 LYS 97 HIS 98 LYS 99 ILE 100 PRO 101 ILE 102 LYS 103 TYR 104 LEU 105 GLU 106 PHE 107 ILE 108 SER 109 GLU 110 ALA 111 ILE 112 ILE 113 HIS 114 VAL 115 LEU 116 HIS 117 SER 118 ARG 119 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-18 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 1027 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 1029 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 1200 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 1413 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 1455 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 1457 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 1459 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 1461 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 1463 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 1465 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 1467 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 1469 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 1471 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 15589 Apomyoglobin_(1-77) 64.71 77 100.00 100.00 3.02e-45 BMRB 16217 apomyoglobin 100.00 119 100.00 100.00 2.94e-76 BMRB 16499 1-77_Apomyoglobin 64.71 78 100.00 100.00 2.88e-45 BMRB 16500 (1-119)Apomyoglobin 100.00 120 100.00 100.00 2.72e-76 BMRB 16501 (1-153)Apomyoglobin 100.00 154 100.00 100.00 2.22e-76 BMRB 1752 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 2345 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 2346 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 2347 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 2348 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 2431 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 2432 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 2433 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 2434 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 291 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 292 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 293 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 40 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 4061 apomyoglobin 100.00 154 100.00 100.00 2.22e-76 BMRB 4062 apomyoglobin 100.00 154 100.00 100.00 2.22e-76 BMRB 426 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 4568 myoglobin 100.00 153 100.00 100.00 2.45e-76 BMRB 4676 "unfolded myoglobin" 100.00 153 100.00 100.00 2.45e-76 BMRB 4695 myoglobin 100.00 153 99.16 99.16 2.79e-75 PDB 101M "Sperm Whale Myoglobin F46v N-Butyl Isocyanide At Ph 9.0" 100.00 154 99.16 99.16 2.06e-75 PDB 102M "Sperm Whale Myoglobin H64a Aquomet At Ph 9.0" 100.00 154 99.16 99.16 2.42e-75 PDB 103M "Sperm Whale Myoglobin H64a N-Butyl Isocyanide At Ph 9.0" 100.00 154 99.16 99.16 2.42e-75 PDB 104M "Sperm Whale Myoglobin N-Butyl Isocyanide At Ph 7.0" 100.00 153 100.00 100.00 2.45e-76 PDB 105M "Sperm Whale Myoglobin N-Butyl Isocyanide At Ph 9.0" 100.00 153 100.00 100.00 2.45e-76 PDB 106M "Sperm Whale Myoglobin V68f Ethyl Isocyanide At Ph 9.0" 100.00 154 99.16 99.16 9.38e-76 PDB 107M "Sperm Whale Myoglobin V68f N-Butyl Isocyanide At Ph 9.0" 100.00 154 99.16 99.16 9.38e-76 PDB 108M "Sperm Whale Myoglobin V68f N-Butyl Isocyanide At Ph 7.0" 100.00 154 99.16 99.16 9.38e-76 PDB 109M "Sperm Whale Myoglobin D122n Ethyl Isocyanide At Ph 9.0" 100.00 154 100.00 100.00 1.95e-76 PDB 110M "Sperm Whale Myoglobin D122n Methyl Isocyanide At Ph 9.0" 100.00 154 100.00 100.00 1.95e-76 PDB 111M "Sperm Whale Myoglobin D122n N-Butyl Isocyanide At Ph 9.0" 100.00 154 100.00 100.00 1.95e-76 PDB 112M "Sperm Whale Myoglobin D122n N-Propyl Isocyanide At Ph 9.0" 100.00 154 100.00 100.00 1.95e-76 PDB 1A6G "Carbonmonoxy-Myoglobin, Atomic Resolution" 100.00 151 100.00 100.00 2.15e-76 PDB 1A6K "Aquomet-Myoglobin, Atomic Resolution" 100.00 151 100.00 100.00 3.26e-76 PDB 1A6M "Oxy-Myoglobin, Atomic Resolution" 100.00 151 100.00 100.00 3.26e-76 PDB 1A6N "Deoxy-Myoglobin, Atomic Resolution" 100.00 151 100.00 100.00 3.26e-76 PDB 1ABS "Photolysed Carbonmonoxy-Myoglobin At 20 K" 100.00 154 100.00 100.00 1.95e-76 PDB 1AJG "Carbonmonoxy Myoglobin At 40 K" 100.00 153 100.00 100.00 2.45e-76 PDB 1AJH "Photoproduct Of Carbonmonoxy Myoglobin At 40 K" 100.00 153 100.00 100.00 2.45e-76 PDB 1BVC "Structure Of A Biliverdin Apomyoglobin Complex (Form D) At 118 K" 100.00 153 100.00 100.00 2.45e-76 PDB 1BVD "Structure Of A Biliverdin Apomyoglobin Complex (Form B) At 98 K" 100.00 153 100.00 100.00 2.45e-76 PDB 1BZ6 "Atomic Resolution Crystal Structure Aquomet-Myoglobin From Sperm Whale At Room Temperature" 100.00 153 100.00 100.00 2.45e-76 PDB 1BZP "Atomic Resolution Crystal Structure Analysis Of Native Deoxy And Co Myoglobin From Sperm Whale At Room Temperature" 100.00 153 100.00 100.00 2.45e-76 PDB 1BZR "Atomic Resolution Crystal Structure Analysis Of Native Deoxy And Co Myoglobin From Sperm Whale At Room Temperature" 100.00 153 100.00 100.00 2.45e-76 PDB 1CH1 "Recombinant Sperm Whale Myoglobin L89g Mutatnt (Met)" 100.00 154 99.16 99.16 1.90e-75 PDB 1CH2 "Recombinant Sperm Whale Myoglobin L89f Mutant (Met)" 100.00 154 99.16 99.16 5.80e-76 PDB 1CH3 "Recombinant Sperm Whale Myoglobin L89w Mutant (Met)" 100.00 154 99.16 99.16 2.29e-75 PDB 1CH5 "Recombinant Sperm Whale Myoglobin H97v Mutant (Met)" 100.00 154 99.16 99.16 4.97e-75 PDB 1CH7 "Recombinant Sperm Whale Myoglobin H97f Mutant (Met)" 100.00 154 99.16 99.16 2.37e-75 PDB 1CH9 "Recombinant Sperm Whale Myoglobin H97q Mutant (Met)" 100.00 154 99.16 99.16 9.79e-76 PDB 1CIK "Recombinant Sperm Whale Myoglobin I99a Mutant (Met)" 100.00 154 99.16 99.16 1.08e-75 PDB 1CIO "Recombinant Sperm Whale Myoglobin I99v Mutant (Met)" 100.00 154 99.16 100.00 2.73e-76 PDB 1CO8 "Recombinant Sperm Whale Myoglobin L104a Mutant (Met)" 100.00 154 99.16 99.16 9.69e-76 PDB 1CO9 "Recombinant Sperm Whale Myoglobin L104v Mutant (Met)" 100.00 154 99.16 100.00 5.20e-76 PDB 1CP0 "Recombinant Sperm Whale Myoglobin L104n Mutant (Met)" 100.00 154 99.16 99.16 1.36e-75 PDB 1CP5 "Recombinant Sperm Whale Myoglobin L104f Mutant (Met)" 100.00 154 99.16 99.16 5.80e-76 PDB 1CPW "Recombinant Sperm Whale Myoglobin L104w Mutant (Met)" 100.00 154 99.16 99.16 2.29e-75 PDB 1CQ2 "Neutron Struture Of Fully Deuterated Sperm Whale Myoglobin At 2.0 Angstrom" 100.00 153 100.00 100.00 2.45e-76 PDB 1DO1 "Carbonmonoxy-Myoglobin Mutant L29w At 105k" 100.00 154 99.16 99.16 3.04e-75 PDB 1DO3 "Carbonmonoxy-Myoglobin (Mutant L29w) After Photolysis At T>180k" 100.00 154 99.16 99.16 3.04e-75 PDB 1DO4 "Carbonmonoxy-Myoglobin (Mutant L29w) After Photolysis At T<180k" 100.00 154 99.16 99.16 3.04e-75 PDB 1DO7 "Carbonmonoxy-Myoglobin (Mutant L29w) Rebinding Structure After Photolysis At T< 180k" 100.00 154 99.16 99.16 3.04e-75 PDB 1DTI "Recombinant Sperm Whale Myoglobin H97d, D122n Mutant (Met)" 100.00 154 99.16 99.16 1.93e-75 PDB 1DTM "Crystal Structure Of The Sperm-Whale Myoglobin Mutant H93g Complexed With 4-Methylimidazole, Metaquo Form" 100.00 153 99.16 99.16 3.25e-75 PDB 1DUK "Wild-Type Recombinant Sperm Whale Metaquomyoglobin" 100.00 153 100.00 100.00 2.45e-76 PDB 1DUO "Sperm Whale Metaquomyoglobin Proximal Histidine Mutant H93g With 1-Methylimidazole As Proximal Ligand." 100.00 153 99.16 99.16 3.25e-75 PDB 1DXC "Co Complex Of Myoglobin Mb-Yqr At 100k" 100.00 154 97.48 97.48 4.17e-74 PDB 1DXD "Photolyzed Co Complex Of Myoglobin Mb-Yqr At 20k" 100.00 154 97.48 97.48 4.17e-74 PDB 1EBC "Sperm Whale Met-Myoglobin:cyanide Complex" 100.00 153 100.00 100.00 2.45e-76 PDB 1F63 "Crystal Structure Of Deoxy Sperm Whale Myoglobin Mutant Y(B10)q(E7)r(E10)" 100.00 154 97.48 97.48 4.17e-74 PDB 1F65 "Crystal Structure Of Oxy Sperm Whale Myoglobin Mutant Y(B10)q(E7)r(E10)" 100.00 154 97.48 97.48 4.17e-74 PDB 1F6H "Combined Rietveld And Stereochemical Restraint Refinement Of A Protein" 100.00 153 100.00 100.00 2.45e-76 PDB 1FCS "Crystal Structure Of A Distal Site Double Mutant Of Sperm Whale Myoglobin At 1.6 Angstroms Resolution" 100.00 154 98.32 98.32 3.66e-74 PDB 1H1X "Sperm Whale Myoglobin Mutant T67r S92d" 100.00 154 98.32 98.32 7.94e-75 PDB 1HJT "Sperm Whale Myoglobin (Ferrous, Nitric Oxide Bound)" 100.00 153 100.00 100.00 2.45e-76 PDB 1IOP "Incorporation Of A Hemin With The Shortest Acid Side-Chains Into Myoglobin" 100.00 153 100.00 100.00 2.45e-76 PDB 1IRC "Cysteine Rich Intestinal Protein" 100.00 154 99.16 99.16 2.91e-75 PDB 1J3F "Crystal Structure Of An Artificial Metalloprotein:cr(iii)(3, 3'-me2-salophen)/apo-a71g Myoglobin" 100.00 154 99.16 99.16 8.50e-76 PDB 1J52 "Recombinant Sperm Whale Myoglobin In The Presence Of 7atm Xenon" 100.00 154 100.00 100.00 1.95e-76 PDB 1JDO "Sperm Whale Myoglobin (Ferrous, Nitric Oxide Bound)" 100.00 154 99.16 99.16 5.80e-76 PDB 1JP6 "Sperm Whale Met-Myoglobin (Room Temperature; Room Pressure)" 100.00 153 100.00 100.00 2.45e-76 PDB 1JP8 "Sperm Whale Met-Myoglobin (Room Temperature; High Pressure)" 100.00 153 100.00 100.00 2.45e-76 PDB 1JP9 "Sperm Whale Met-Myoglobin (Low Temperature; High Pressure)" 100.00 153 100.00 100.00 2.45e-76 PDB 1JPB "Sperm Whale Met-Myoglobin (Low Temperature; High Pressure)" 100.00 153 100.00 100.00 2.45e-76 PDB 1JW8 "1.3 Angstrom Resolution Crystal Structure Of P6 Form Of Myoglobin" 100.00 154 100.00 100.00 1.95e-76 PDB 1L2K "Neutron Structure Determination Of Sperm Whale Met-Myoglobin At 1.5a Resolution." 100.00 153 100.00 100.00 2.45e-76 PDB 1LTW "Recombinant Sperm Whale Myoglobin 29w Mutant (oxy)" 100.00 154 99.16 99.16 2.29e-75 PDB 1LUE "Recombinant Sperm Whale Myoglobin H64d/v68a/d122n Mutant (met)" 100.00 154 98.32 98.32 7.52e-75 PDB 1MBC "X-Ray Structure And Refinement Of Carbon-Monoxy (Fe Ii)- Myoglobin At 1.5 Angstroms Resolution" 100.00 153 100.00 100.00 2.45e-76 PDB 1MBD "Neutron Diffraction Reveals Oxygen-Histidine Hydrogen Bond In Oxymyoglobin" 100.00 153 100.00 100.00 2.45e-76 PDB 1MBI "X-Ray Crystal Structure Of The Ferric Sperm Whale Myoglobin: Imidazole Complex At 2.0 Angstroms Resolution" 100.00 153 100.00 100.00 2.45e-76 PDB 1MBN "The Stereochemistry Of The Protein Myoglobin" 100.00 153 100.00 100.00 2.45e-76 PDB 1MBO "Structure And Refinement Of Oxymyoglobin At 1.6 Angstroms Resolution" 100.00 153 100.00 100.00 2.45e-76 PDB 1MCY "Sperm Whale Myoglobin (Mutant With Initiator Met And With His 64 Replaced By Gln, Leu 29 Replaced By Phe" 100.00 154 98.32 98.32 4.04e-75 PDB 1MGN "His64(E7)-> Tyr Apomyoglobin As A Reagent For Measuring Rates Of Hemin Dissociation" 100.00 154 99.16 100.00 6.33e-76 PDB 1MLF "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 99.16 99.16 6.61e-76 PDB 1MLG "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 99.16 99.16 6.61e-76 PDB 1MLH "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 99.16 99.16 6.61e-76 PDB 1MLJ "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 99.16 99.16 9.38e-76 PDB 1MLK "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 99.16 99.16 9.38e-76 PDB 1MLL "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 99.16 99.16 9.38e-76 PDB 1MLM "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 99.16 100.00 3.12e-76 PDB 1MLN "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 99.16 100.00 3.12e-76 PDB 1MLO "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 99.16 100.00 3.12e-76 PDB 1MLQ "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 99.16 100.00 6.06e-76 PDB 1MLR "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 99.16 100.00 6.06e-76 PDB 1MLS "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 99.16 100.00 6.06e-76 PDB 1MLU "Nitric Oxide Recombination To Double Mutants Of Myoglobin: The Role Of Ligand Diffusion In A Fluctuating Heme Pocket" 100.00 154 98.32 98.32 9.77e-75 PDB 1MOA "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 99.16 99.16 5.80e-76 PDB 1MOB "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.16 99.16 2.53e-75 PDB 1MOC "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.16 99.16 2.34e-75 PDB 1MOD "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.16 99.16 2.34e-75 PDB 1MTI "Phe46(Cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" 100.00 154 99.16 99.16 1.73e-75 PDB 1MTJ "Phe46(Cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" 100.00 154 99.16 99.16 2.06e-75 PDB 1MTK "Phe46(cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" 100.00 154 99.16 99.16 2.06e-75 PDB 1MYF "Solution Structure Of Carbonmonoxy Myoglobin Determined From Nmr Distance And Chemical Shift Constraints" 100.00 153 100.00 100.00 2.45e-76 PDB 1MYM "Structural Determinants Of Co Stretching Vibration Frequencies In Myoglobin" 100.00 154 99.16 99.16 2.06e-75 PDB 1MYZ "Co Complex Of Myoglobin Mb-yqr At Rt Solved From Laue Data." 100.00 154 97.48 97.48 4.17e-74 PDB 1MZ0 "Structure Of Myoglobin Mb-yqr 316 Ns After Photolysis Of Carbon Monoxide Solved From Laue Data At Rt" 100.00 154 97.48 97.48 4.17e-74 PDB 1N9F "Structure Of Earth-Grown Oxidized Myoglobin Mutant Yqr (Iss6a)" 100.00 154 97.48 97.48 4.17e-74 PDB 1N9H "Structure Of Microgravity-Grown Oxidized Myoglobin Mutant Yqr (Iss6a)" 100.00 154 97.48 97.48 4.17e-74 PDB 1N9I "Structure Of Earth-Grown Oxidized Myoglobin Mutant Yqr (Iss8a)" 100.00 154 97.48 97.48 4.17e-74 PDB 1N9X "Structure Of Microgravity-Grown Oxidized Myoglobin Mutant Yqr (Iss8a)" 100.00 154 97.48 97.48 4.17e-74 PDB 1NAZ "Structure Of Microgravity-Grown Oxidized Myoglobin Mutant Yqr (Iss8a)" 100.00 154 97.48 97.48 4.17e-74 PDB 1O16 "Recombinant Sperm Whale Myoglobin H64dV68SD122N MUTANT (Met)" 100.00 154 98.32 98.32 1.07e-74 PDB 1OBM "Recombinant Sperm Whale Myoglobin 29f64Q68F122N MUTANT (Met)" 100.00 154 97.48 97.48 1.58e-74 PDB 1OFJ "Recombinant Sperm Whale Myoglobin L29hH64LD122N MUTANT (With Initiator Met)" 100.00 154 98.32 98.32 1.03e-73 PDB 1OFK "Recombinant Sperm Whale Myoglobin F43h, H64l Mutant (Met)" 100.00 154 98.32 98.32 1.44e-73 PDB 1SPE "Sperm Whale Native Co Myoglobin At Ph 4.0, Temp 4c" 100.00 153 100.00 100.00 2.45e-76 PDB 1SWM "X-Ray Crystal Structure Of The Ferric Sperm Whale Myoglobin: Imidazole Complex At 2.0 Angstroms Resolution" 100.00 153 100.00 100.00 2.45e-76 PDB 1TES "Oxygen Binding Muscle Protein" 100.00 154 100.00 100.00 1.95e-76 PDB 1U7R "Crystal Structure Of Native Sperm Whale Myoglobin From Low Ionic Strength Enviroment (form2 )" 100.00 153 100.00 100.00 2.45e-76 PDB 1U7S "Crystal Structure Of Native Sperm Whale Myoglobin From Low Ionic Strength Enviroment (form 1)" 100.00 153 100.00 100.00 2.45e-76 PDB 1UFJ "Crystal Structure Of An Artificial Metalloprotein:fe(Iii)(3, 3'-Me2-Salophen)APO-A71g Myoglobin" 100.00 154 99.16 99.16 8.50e-76 PDB 1UFP "Crystal Structure Of An Artificial Metalloprotein:fe(Iii)(3, 3'-Me2-Salophen)APO-Wild Type Myoglobin" 100.00 154 100.00 100.00 2.22e-76 PDB 1V9Q "Crystal Structure Of An Artificial Metalloprotein:mn(iii)(3, 3'-me2-salophen)/apo-a71g Myoglobin" 100.00 154 99.16 99.16 8.50e-76 PDB 1VXA "Native Sperm Whale Myoglobin" 100.00 153 100.00 100.00 2.45e-76 PDB 1VXB "Native Sperm Whale Myoglobin" 100.00 153 100.00 100.00 2.45e-76 PDB 1VXC "Native Sperm Whale Myoglobin" 100.00 153 100.00 100.00 2.45e-76 PDB 1VXD "Native Sperm Whale Myoglobin" 100.00 153 100.00 100.00 2.45e-76 PDB 1VXE "Native Sperm Whale Myoglobin" 100.00 153 100.00 100.00 2.45e-76 PDB 1VXF "Native Sperm Whale Myoglobin" 100.00 153 100.00 100.00 2.45e-76 PDB 1VXG "Native Sperm Whale Myoglobin" 100.00 153 100.00 100.00 2.45e-76 PDB 1VXH "Native Sperm Whale Myoglobin" 100.00 153 100.00 100.00 2.45e-76 PDB 1WVP "Structure Of Chemically Modified Myoglobin With Distal N- Tetrazolyl-Histidine E7(64)" 100.00 153 99.16 99.16 2.40e-75 PDB 1YOG "Cobalt Myoglobin (Deoxy)" 100.00 153 100.00 100.00 2.45e-76 PDB 1YOH "Cobalt Myoglobin (Met)" 100.00 153 100.00 100.00 2.45e-76 PDB 1YOI "Cobalt Myoglobin (Oxy)" 100.00 153 100.00 100.00 2.45e-76 PDB 2BLH "Ligand Migration And Protein Fluctuations In Myoglobin Mutant L29w" 100.00 153 99.16 99.16 2.95e-75 PDB 2BLI "L29w Mb Deoxy" 100.00 153 99.16 99.16 2.95e-75 PDB 2BLJ "Structure Of L29w Mbco" 100.00 153 99.16 99.16 2.95e-75 PDB 2BW9 "Laue Structure Of L29w Mbco" 100.00 153 99.16 99.16 2.95e-75 PDB 2BWH "Laue Structure Of A Short Lived State Of L29w Myoglobin" 100.00 153 99.16 99.16 2.95e-75 PDB 2CMM "Structural Analysis Of The Myoglobin Reconstituted With Iron Porphine" 100.00 153 100.00 100.00 2.45e-76 PDB 2D6C "Crystal Structure Of Myoglobin Reconstituted With Iron Porphycene" 100.00 153 100.00 100.00 2.45e-76 PDB 2E2Y "Crystal Structure Of F43wH64DV68I MYOGLOBIN" 100.00 154 97.48 99.16 4.26e-74 PDB 2EB8 "Crystal Structure Of Cu(Ii)(Sal-Phe)APO-Myoglobin" 100.00 154 100.00 100.00 2.22e-76 PDB 2EB9 "Crystal Structure Of Cu(ii)(sal-leu)/apo-myoglobin" 100.00 154 100.00 100.00 2.22e-76 PDB 2EF2 "Crystal Structure Of An Artificial Metalloprotein:rh(Phebox- Ph)APO-A71g Myoglobin" 100.00 154 99.16 99.16 8.50e-76 PDB 2EKT "Crystal Structure Of Myoglobin Reconstituted With 6-Methyl-6- Depropionatehemin" 100.00 153 100.00 100.00 2.45e-76 PDB 2EKU "Crystal Structure Of Myoglobin Reconstituted With 7-Methyl-7- Depropionatehemin" 100.00 153 100.00 100.00 2.45e-76 PDB 2EVK "The Structures Of Thiolate- And Carboxylate-Ligated Ferric H93g Myoglobin: Models For Cytochrome P450 And For Oxyanion-Bound He" 100.00 153 99.16 99.16 3.25e-75 PDB 2EVP "The Structures Of Thiolate- And Carboxylate-Ligated Ferric H93g Myoglobin: Models For Cytochrome P450 And For Oxyanion-Bound He" 100.00 153 99.16 99.16 3.25e-75 PDB 2G0R "Unphotolyzed Co-bound L29f Myoglobin" 100.00 154 99.16 99.16 5.80e-76 PDB 2G0S "Unphotolyzed Co-bound L29f Myoglobin, Crystal 2" 100.00 154 99.16 99.16 5.80e-76 PDB 2G0V "Photolyzed Co L29f Myoglobin: 100ps" 100.00 154 99.16 99.16 5.80e-76 PDB 2G0X "Photolyzed Co L29f Myoglobin: 316ps" 100.00 154 99.16 99.16 5.80e-76 PDB 2G0Z "Photolyzed Co L29f Myoglobin: 1ns" 100.00 154 99.16 99.16 5.80e-76 PDB 2G10 "Photolyzed Co L29f Myoglobin: 3.16ns" 100.00 154 99.16 99.16 5.80e-76 PDB 2G11 "Photolyzed Co L29f Myoglobin: 31.6ns" 100.00 154 99.16 99.16 5.80e-76 PDB 2G12 "Photolyzed Co L29f Myoglobin: 316ns" 100.00 154 99.16 99.16 5.80e-76 PDB 2G14 "Photolyzed Co L29f Myoglobin: 3.16us" 100.00 154 99.16 99.16 5.80e-76 PDB 2JHO "Cyanomet Sperm Whale Myoglobin At 1.4a Resolution" 100.00 154 100.00 100.00 2.22e-76 PDB 2MB5 "Hydration In Protein Crystals. A Neutron Diffraction Analysis Of Carbonmonoxymyoglobin" 99.16 153 100.00 100.00 1.53e-75 PDB 2MBW "Recombinant Sperm Whale Myoglobin (Met)" 100.00 154 100.00 100.00 1.95e-76 PDB 2MGA "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.16 99.16 2.53e-75 PDB 2MGB "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.16 99.16 2.53e-75 PDB 2MGC "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.16 99.16 5.03e-75 PDB 2MGD "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.16 99.16 5.03e-75 PDB 2MGE "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.16 99.16 5.03e-75 PDB 2MGF "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.16 99.16 9.79e-76 PDB 2MGG "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.16 99.16 9.79e-76 PDB 2MGH "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.16 99.16 9.79e-76 PDB 2MGI "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.16 99.16 2.34e-75 PDB 2MGJ "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.16 99.16 4.97e-75 PDB 2MGK "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 100.00 100.00 1.95e-76 PDB 2MGL "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 100.00 100.00 1.95e-76 PDB 2MGM "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 100.00 100.00 1.95e-76 PDB 2MYA "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 153 100.00 100.00 2.45e-76 PDB 2MYB "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 153 100.00 100.00 2.45e-76 PDB 2MYC "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 153 100.00 100.00 2.45e-76 PDB 2MYD "High Resolution X-ray Structures Of Myoglobin-and Hemoglobin-alkyl Isocyanide Complexes" 100.00 153 100.00 100.00 2.45e-76 PDB 2MYE "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 153 100.00 100.00 2.45e-76 PDB 2OH8 "Myoglobin Cavity Mutant I28w" 100.00 154 99.16 99.16 3.83e-75 PDB 2OH9 "Myoglobin Cavity Mutant V68w" 100.00 154 99.16 99.16 3.62e-75 PDB 2OHA "Myoglobin Cavity Mutant F138w" 100.00 154 100.00 100.00 3.08e-76 PDB 2OHB "Myoglobin Cavity Mutant I107w" 100.00 154 99.16 99.16 3.83e-75 PDB 2SPL "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 99.16 99.16 5.80e-76 PDB 2SPM "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 99.16 99.16 5.80e-76 PDB 2SPN "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 99.16 99.16 5.80e-76 PDB 2SPO "A Novel Site-directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 99.16 100.00 5.20e-76 PDB 2W6W "Crystal Structure Of Recombinant Sperm Whale Myoglobin Under 1atm Of Xenon" 100.00 154 100.00 100.00 2.22e-76 PDB 2W6Y "Crystal Structure Of Sperm Whale Myoglobin Mutant Yqr In Complex With Xenon" 100.00 154 97.48 97.48 4.75e-74 PDB 2Z6S "Crystal Structure Of The Oxy Myoglobin Free From X-ray- Induced Photoreduction" 100.00 153 100.00 100.00 2.45e-76 PDB 2Z6T "Crystal Structure Of The Ferric Peroxo Myoglobin" 100.00 153 100.00 100.00 2.45e-76 PDB 2ZSN "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [300 Min]" 100.00 153 100.00 100.00 2.45e-76 PDB 2ZSO "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [450 Min]" 100.00 153 100.00 100.00 2.45e-76 PDB 2ZSP "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [300 Min]" 100.00 153 100.00 100.00 2.45e-76 PDB 2ZSQ "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [150 Min]" 100.00 153 100.00 100.00 2.45e-76 PDB 2ZSR "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [450 Min]" 100.00 153 100.00 100.00 2.45e-76 PDB 2ZSS "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [300 Min]" 100.00 153 100.00 100.00 2.45e-76 PDB 2ZST "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [450 Min]" 100.00 153 100.00 100.00 2.45e-76 PDB 2ZSX "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [600 Min]" 100.00 153 100.00 100.00 2.45e-76 PDB 2ZSY "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [750 Min]" 100.00 153 100.00 100.00 2.45e-76 PDB 2ZSZ "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [600 Min]" 100.00 153 100.00 100.00 2.45e-76 PDB 2ZT0 "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [750 Min]" 100.00 153 100.00 100.00 2.45e-76 PDB 2ZT1 "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [810 Min]" 100.00 153 100.00 100.00 2.45e-76 PDB 2ZT2 "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [600 Min]" 100.00 153 100.00 100.00 2.45e-76 PDB 2ZT3 "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [750 Min]" 100.00 153 100.00 100.00 2.45e-76 PDB 2ZT4 "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [810 Min]" 100.00 153 100.00 100.00 2.45e-76 PDB 3A2G "Crystal Structure Of K102c-Myoglobin Conjugated With Fluorescein" 100.00 154 99.16 99.16 1.93e-75 PDB 3ASE "Crystal Structure Of Zinc Myoglobin Soaked With Ru3o Cluster" 100.00 154 100.00 100.00 1.95e-76 PDB 3E4N "Carbonmonoxy Sperm Whale Myoglobin At 40 K: Laser Off" 100.00 153 100.00 100.00 2.45e-76 PDB 3E55 "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser Off" 100.00 153 100.00 100.00 2.45e-76 PDB 3E5I "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser Off" 100.00 153 100.00 100.00 2.45e-76 PDB 3E5O "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser Off" 100.00 153 100.00 100.00 2.45e-76 PDB 3ECL "Carbonmonoxy Sperm Whale Myoglobin At 40 K: Laser On" 100.00 153 100.00 100.00 2.45e-76 PDB 3ECX "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [30 Min]" 100.00 153 100.00 100.00 2.45e-76 PDB 3ECZ "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [30 Min]" 100.00 153 100.00 100.00 2.45e-76 PDB 3ED9 "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [30 Min]" 100.00 153 100.00 100.00 2.45e-76 PDB 3EDA "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [150 Min]" 100.00 153 100.00 100.00 2.45e-76 PDB 3EDB "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [150 Min]" 100.00 153 100.00 100.00 2.45e-76 PDB 3H57 "Myoglobin Cavity Mutant H64lv68n Deoxy Form" 100.00 154 98.32 98.32 3.28e-74 PDB 3H58 "Myoglobin Cavity Mutant H64lv68n Met Form" 100.00 154 98.32 98.32 3.28e-74 PDB 3K9Z "Rational Design Of A Structural And Functional Nitric Oxide Reductase" 100.00 153 97.48 97.48 2.28e-72 PDB 3MN0 "Introducing A 2-His-1-Glu Non-Heme Iron Center Into Myoglobin Confers Nitric Oxide Reductase Activity: Cu(Ii)-Cn-Febmb(-His) Fo" 100.00 153 98.32 98.32 1.04e-73 PDB 3NML "Sperm Whale Myoglobin Mutant H64w Carbonmonoxy-Form" 100.00 154 99.16 99.16 5.14e-75 PDB 3O89 "Crystal Structure Of Sperm Whale Myoglobin G65t" 100.00 153 99.16 99.16 3.43e-75 PDB 3OGB "Sperm Whale Myoglobin Mutant H64w Deoxy-Form" 100.00 154 99.16 99.16 5.14e-75 PDB 3SDN "Structure Of G65i Sperm Whale Myoglobin Mutant" 100.00 154 99.16 99.16 8.12e-75 PDB 3U3E "Complex Of Wild Type Myoglobin With Phenol In Its Proximal Cavity" 100.00 154 100.00 100.00 2.22e-76 PDB 4FWX "Aquoferric F33y Cub Myoglobin (F33y L29h F43h Sperm Whale Myoglobin)" 100.00 153 97.48 98.32 4.02e-73 PDB 4FWY "F33y Cub Myoglobin (F33y L29h F43h Sperm Whale Myoglobin) With Copper Bound" 100.00 153 97.48 98.32 4.02e-73 PDB 4FWZ "Aquoferric Cub Myoglobin (L29h F43h Sperm Whale Myoglobin)" 100.00 153 98.32 98.32 1.76e-73 PDB 4H07 "Complex Of G65t Myoglobin With Phenol In Its Proximal Cavity" 100.00 154 99.16 99.16 3.29e-75 PDB 4H0B "Complex Of G65t Myoglobin With Dmso In Its Distal Cavity" 100.00 154 99.16 99.16 3.29e-75 PDB 4IT8 "A Sperm Whale Myoglobin Mutant L29h Mb With Two Distal Histidines" 100.00 154 99.16 99.16 6.32e-75 PDB 4LPI "A Sperm Whale Myoglobin Double Mutant L29h/f43y Mb With A Distal Hydrogen-bonding Network" 100.00 154 98.32 99.16 1.07e-74 PDB 4MBN "Refinement Of Myoglobin And Cytochrome C" 100.00 153 100.00 100.00 2.45e-76 PDB 4MXK "X-ray Structure Of Fe(ii)-znpixfebmb1" 100.00 153 97.48 97.48 2.28e-72 PDB 4MXL "X-ray Structure Of Znpfebmb1" 100.00 153 97.48 97.48 2.28e-72 PDB 4NXA "Sperm Whale Myoglobin Under Xenon Pressure 30 Bar" 100.00 154 100.00 100.00 2.22e-76 PDB 4NXC "Sperm Whale Myoglobin Under 30 Bar Nitrous Oxide" 100.00 154 100.00 100.00 2.22e-76 PDB 4OF9 "Structure Of K42n Variant Of Sperm Whale Myoglobin" 100.00 153 99.16 99.16 8.23e-76 PDB 4OOD "Structure Of K42y Mutant Of Sperm Whale Myoglobin" 100.00 154 99.16 99.16 1.60e-75 PDB 4PNJ "Recombinant Sperm Whale P6 Myoglobin Solved With Single Pulse Free Electron Laser Data" 100.00 154 100.00 100.00 2.22e-76 PDB 4PQ6 "A Sperm Whale Myoglobin Single Mutant L29e Mb With Native His93 Coordination" 100.00 154 99.16 99.16 2.58e-75 PDB 4PQB "A Sperm Whale Myoglobin Double Mutant L29e/f43h Mb With A Non-native Bis-his (his64/his93) Coordination" 100.00 154 98.32 98.32 7.42e-74 PDB 4PQC "A Sperm Whale Myoglobin Single Mutant F43h Mb With Native His93 Coordination" 100.00 154 99.16 99.16 7.20e-75 PDB 4QAU "Crystal Structure Of F43y Mutant Of Sperm Whale Myoglobin" 100.00 154 99.16 100.00 5.15e-76 PDB 5C6Y "A Sperm Whale Myoglobin Double Mutant L29h/f43y Mb With A Tyr-heme Cross-link" 100.00 154 98.32 99.16 1.07e-74 PDB 5MBN "Refinement Of Myoglobin And Cytochrome C" 100.00 153 100.00 100.00 2.45e-76 DBJ BAF03579 "myoglobin [Physeter catodon]" 100.00 154 100.00 100.00 2.22e-76 DBJ BAF03582 "myoglobin [Kogia breviceps]" 100.00 154 97.48 99.16 1.45e-74 GB AAA72199 "synthetic myoglobin [synthetic construct]" 100.00 154 100.00 100.00 1.95e-76 PRF 742482A myoglobin 100.00 153 100.00 100.00 1.83e-76 REF NP_001277651 "myoglobin [Physeter catodon]" 100.00 154 100.00 100.00 2.22e-76 SP P02184 "RecName: Full=Myoglobin" 100.00 154 97.48 99.16 1.45e-74 SP P02185 "RecName: Full=Myoglobin" 100.00 154 100.00 100.00 2.22e-76 SP Q0KIY5 "RecName: Full=Myoglobin" 100.00 154 97.48 99.16 1.45e-74 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $apomyoglobin 'E. coli' 562 Eubacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $apomyoglobin 'recombinant technology' . Escherichia coli . pET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'ApoMb(1-119) was first dissolved in HCl at pH 2.5, then diluted into the 20mM acetate buffer containing 5 mM KCl and 5% D2O at pH 6' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $apomyoglobin . mM . 'Sodium Acetate' 20 mM 'natural abundance' 'potassium chloride' 5 mM 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPIPE_and_NMRVIEW _Saveframe_category software _Name NMRPIPE_and_NMRVIEW _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details '1H{13C, 15N} triple resonance cold prove probe with triple axis gradients was used' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 5 . mM pH 6.0 . pH pressure 1 . atm temperature 277 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPIPE_and_NMRVIEW stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name apoMb_1-119_fragment _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 64 64 HIS H H 8.259 . 1 2 64 64 HIS CA C 55.947 . 1 3 64 64 HIS N N 118.286 . 1 4 65 65 GLY H H 8.367 . 1 5 65 65 GLY CA C 45.654 . 1 6 65 65 GLY N N 109.592 . 1 7 66 66 VAL H H 8.134 . 1 8 66 66 VAL CA C 62.441 . 1 9 66 66 VAL N N 119.753 . 1 10 67 67 THR H H 8.456 . 1 11 67 67 THR CA C 62.432 . 1 12 67 67 THR N N 120.216 . 1 13 68 68 VAL H H 8.402 . 1 14 68 68 VAL CA C 62.521 . 1 15 68 68 VAL N N 124.534 . 1 16 69 69 LEU H H 8.465 . 1 17 69 69 LEU CA C 55.273 . 1 18 69 69 LEU N N 126.1 . 1 19 70 70 THR H H 8.218 . 1 20 70 70 THR CA C 62.057 . 1 21 70 70 THR N N 115.83 . 1 22 71 71 ALA H H 8.45 . 1 23 71 71 ALA CA C 52.952 . 1 24 71 71 ALA N N 126.557 . 1 25 72 72 LEU H H 8.312 . 1 26 72 72 LEU CA C 55.823 . 1 27 72 72 LEU N N 121.307 . 1 28 73 73 GLY H H 8.404 . 1 29 73 73 GLY CA C 45.655 . 1 30 73 73 GLY N N 109.277 . 1 31 74 74 ALA H H 8.085 . 1 32 74 74 ALA CA C 52.833 . 1 33 74 74 ALA N N 123.637 . 1 34 75 75 ILE H H 8.122 . 1 35 75 75 ILE CA C 61.59 . 1 36 75 75 ILE N N 120.606 . 1 37 76 76 LEU H H 8.338 . 1 38 76 76 LEU CA C 55.347 . 1 39 76 76 LEU N N 126.202 . 1 40 79 79 LYS CA C 56.775 . 1 41 80 80 GLY H H 8.574 . 1 42 80 80 GLY CA C 45.077 . 1 43 80 80 GLY N N 110.496 . 1 44 81 81 HIS H H 8.372 . 1 45 81 81 HIS CA C 55.992 . 1 46 81 81 HIS N N 119.062 . 1 47 82 82 HIS H H 8.584 . 1 48 82 82 HIS CA C 55.784 . 1 49 82 82 HIS N N 121.392 . 1 50 83 83 GLU H H 8.614 . 1 51 83 83 GLU CA C 56.581 . 1 52 83 83 GLU N N 123.134 . 1 53 84 84 ALA H H 8.507 . 1 54 84 84 ALA CA C 52.55 . 1 55 84 84 ALA N N 125.026 . 1 56 85 85 GLU H H 8.412 . 1 57 85 85 GLU CA C 56.327 . 1 58 85 85 GLU N N 120.729 . 1 59 90 90 ALA CA C 52.54 . 1 60 91 91 GLN H H 8.48 . 1 61 91 91 GLN CA C 55.657 . 1 62 91 91 GLN N N 120.031 . 1 63 92 92 SER H H 8.455 . 1 64 92 92 SER CA C 58.359 . 1 65 92 92 SER N N 117.396 . 1 66 93 93 HIS H H 8.588 . 1 67 93 93 HIS CA C 55.787 . 1 68 93 93 HIS N N 121.405 . 1 69 94 94 ALA CA C 52.671 . 1 70 95 95 THR H H 8.32 . 1 71 95 95 THR CA C 62.056 . 1 72 95 95 THR N N 114.898 . 1 73 98 98 LYS H H 8.496 . 1 74 98 98 LYS CA C 56.281 . 1 75 98 98 LYS N N 124.143 . 1 76 109 109 GLU H H 8.486 . 1 77 109 109 GLU CA C 56.756 . 1 78 109 109 GLU N N 123.347 . 1 79 110 110 ALA H H 8.328 . 1 80 110 110 ALA CA C 52.702 . 1 81 110 110 ALA N N 124.924 . 1 82 111 111 ILE H H 8.048 . 1 83 111 111 ILE CA C 61.18 . 1 84 111 111 ILE N N 120.71 . 1 85 112 112 ILE H H 8.171 . 1 86 112 112 ILE CA C 61.164 . 1 87 112 112 ILE N N 124.932 . 1 88 113 113 HIS H H 8.581 . 1 89 113 113 HIS CA C 55.518 . 1 90 113 113 HIS N N 123.553 . 1 91 114 114 VAL H H 8.243 . 1 92 114 114 VAL CA C 62.57 . 1 93 114 114 VAL N N 122.59 . 1 94 115 115 LEU H H 8.496 . 1 95 115 115 LEU CA C 55.273 . 1 96 115 115 LEU N N 126.322 . 1 97 116 116 HIS H H 8.532 . 1 98 116 116 HIS CA C 55.413 . 1 99 116 116 HIS N N 119.869 . 1 100 117 117 SER H H 8.37 . 1 101 117 117 SER CA C 58.34 . 1 102 117 117 SER N N 117.299 . 1 103 118 118 ARG H H 8.522 . 1 104 118 118 ARG CA C 56.239 . 1 105 118 118 ARG N N 123.372 . 1 106 119 119 HIS H H 8.211 . 1 107 119 119 HIS CA C 56.938 . 1 108 119 119 HIS N N 124.979 . 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units s-1 _Mol_system_component_name apoMb_1-119_fragment _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 58 SER N 1.2544 0.0308 2 64 HIS N 1.546 0.0262 3 65 GLY N 1.4916 0.0163 4 66 VAL N 1.4777 0.0165 5 70 THR N 1.5666 0.0532 6 72 LEU N 1.7432 0.0465 7 73 GLY N 1.5762 0.0376 8 74 ALA N 1.5548 0.0085 9 75 ILE N 1.4913 0.0367 10 76 LEU N 1.5564 0.0231 11 80 GLY N 1.6572 0.0343 12 81 HIS N 1.6208 0.0179 13 84 ALA N 1.5399 0.0165 14 85 GLU N 1.4855 0.0128 15 92 SER N 1.5656 0.0442 16 95 THR N 1.5854 0.0477 17 109 GLU N 1.5622 0.0158 18 110 ALA N 1.6647 0.0495 19 112 ILE N 1.6578 0.0698 20 113 HIS N 1.7623 0.0655 21 116 HIS N 1.7351 0.0686 22 117 SER N 1.5578 0.0999 23 118 ARG N 1.6896 0.0607 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type Nz _T2_value_units s-1 _Mol_system_component_name apoMb_1-119_fragment _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 58 SER N 14.3557 2.1756 . . 2 64 HIS N 16.0354 0.6204 . . 3 65 GLY N 13.441 0.4778 . . 4 66 VAL N 12.4831 0.2358 . . 5 70 THR N 8.8585 0.2576 . . 6 72 LEU N 9.4386 0.7927 . . 7 73 GLY N 11.3175 0.352 . . 8 74 ALA N 10.4126 0.521 . . 9 75 ILE N 11.7045 0.5872 . . 10 76 LEU N 11.2506 0.4605 . . 11 80 GLY N 8.7546 0.2342 . . 12 81 HIS N 9.3613 0.2381 . . 13 84 ALA N 7.9192 0.6109 . . 14 85 GLU N 9.1509 0.1164 . . 15 92 SER N 7.8749 0.1182 . . 16 95 THR N 6.5355 0.4857 . . 17 109 GLU N 8.3458 0.2422 . . 18 110 ALA N 8.4236 0.2772 . . 19 112 ILE N 7.6404 0.8269 . . 20 113 HIS N 8.116 0.4566 . . 21 116 HIS N 7.734 0.5324 . . 22 117 SER N 5.8417 0.5612 . . 23 118 ARG N 4.7857 0.0685 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $NMRPIPE_and_NMRVIEW stop_ loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name apoMb_1-119_fragment _Atom_one_atom_name H _Atom_two_atom_name N _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 1.0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 58 SER 0.505087045 0.055879898 64 HIS 0.291970345 0.162438439 65 GLY 0.210015135 0.019189006 66 VAL 0.249647648 0.00906745 70 THR 0.107491883 0.021282717 72 LEU 0.290065222 0.045195629 73 GLY 0.175222832 0.007812858 74 ALA 0.263010882 0.011723498 75 ILE 0.190668664 0.018798007 76 LEU 0.243413916 0.004633394 80 GLY 0.144366872 0.009845971 81 HIS 0.282830705 0.03755001 84 ALA 0.08667733 0.011446302 85 GLU 0.170398845 0.019976236 92 SER 0.008290161 0.04587375 95 THR -0.085459646 0.022484253 109 GLU 0.113593397 0.017681105 110 ALA 0.224753758 0.048380668 112 ILE 0.099676356 0.03235516 113 HIS 0.14097654 0.03070024 116 HIS 0.018143009 0.116338504 117 SER -0.17346335 0.043343583 118 ARG -0.38050108 0.024250361 stop_ save_