data_2852 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H-n.m.r. studies of the fibronectin 13kDa collagen-binding fragment Evidence for autonomous conserved typeI and type II domain folds ; _BMRB_accession_number 2852 _BMRB_flat_file_name bmr2852.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _Entry_origination BMRB _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 Constantine Keith L. . 2 Brew Shelesa A. . 3 Ingham Kenneth C. . 4 Llinas M. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 105 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Constantine, Keith L., Brew, Shelesa A., Ingham, Kenneth C., Llinas, M., "1H-n.m.r. studies of the fibronectin 13kDa collagen-binding fragment Evidence for autonomous conserved typeI and type II domain folds," Biochem. J. 283, 247-254 (1992). ; _Citation_title ; 1H-n.m.r. studies of the fibronectin 13kDa collagen-binding fragment Evidence for autonomous conserved typeI and type II domain folds ; _Citation_status published _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 Constantine Keith L. . 2 Brew Shelesa A. . 3 Ingham Kenneth C. . 4 Llinas M. . . stop_ _Journal_abbreviation 'Biochem. J.' _Journal_volume 283 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 247 _Page_last 254 _Year 1992 _Details . save_ ################################## # Molecular system description # ################################## save_system_fibronectin _Saveframe_category molecular_system _Mol_system_name fibronectin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label fibronectin $fibronectin stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_fibronectin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common fibronectin _Name_variant 'gelatin-binding fragment' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 117 _Mol_residue_sequence ; AAVYQPQPHPQPPPYGHCVT DSGVVYSVGMQWLKTQGNKQ MLCTCLGNGVSCQETAVTQT YGGNSNGEPCVLPFTYNGRT FYSCTTEGRQDGHLWCSTTS NYEQDQKYSFCTDHTVL ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ALA 3 VAL 4 TYR 5 GLN 6 PRO 7 GLN 8 PRO 9 HIS 10 PRO 11 GLN 12 PRO 13 PRO 14 PRO 15 TYR 16 GLY 17 HIS 18 CYS 19 VAL 20 THR 21 ASP 22 SER 23 GLY 24 VAL 25 VAL 26 TYR 27 SER 28 VAL 29 GLY 30 MET 31 GLN 32 TRP 33 LEU 34 LYS 35 THR 36 GLN 37 GLY 38 ASN 39 LYS 40 GLN 41 MET 42 LEU 43 CYS 44 THR 45 CYS 46 LEU 47 GLY 48 ASN 49 GLY 50 VAL 51 SER 52 CYS 53 GLN 54 GLU 55 THR 56 ALA 57 VAL 58 THR 59 GLN 60 THR 61 TYR 62 GLY 63 GLY 64 ASN 65 SER 66 ASN 67 GLY 68 GLU 69 PRO 70 CYS 71 VAL 72 LEU 73 PRO 74 PHE 75 THR 76 TYR 77 ASN 78 GLY 79 ARG 80 THR 81 PHE 82 TYR 83 SER 84 CYS 85 THR 86 THR 87 GLU 88 GLY 89 ARG 90 GLN 91 ASP 92 GLY 93 HIS 94 LEU 95 TRP 96 CYS 97 SER 98 THR 99 THR 100 SER 101 ASN 102 TYR 103 GLU 104 GLN 105 ASP 106 GLN 107 LYS 108 TYR 109 SER 110 PHE 111 CYS 112 THR 113 ASP 114 HIS 115 THR 116 VAL 117 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-04 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 2853 fibronectin 100.00 117 100.00 100.00 4.53e-80 PDB 1QO6 "Solution Structure Of A Pair Of Modules From The Gelatin-Binding Domain Of Fibronectin" 86.32 101 100.00 100.00 3.37e-67 GB AAV65602 "fibronectin, partial [Sus scrofa]" 62.39 360 97.26 98.63 1.21e-41 REF XP_011356996 "PREDICTED: fibronectin [Pteropus vampyrus]" 97.44 2454 97.37 99.12 8.37e-71 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $fibronectin . . . . . . 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 $fibronectin 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.6 . na temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _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 TSP H . . ppm 0 . . . . . 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_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name fibronectin _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 . 3 VAL HA H 4.48 . 1 2 . 3 VAL HB H 1.13 . 1 3 . 3 VAL HG1 H .56 . 2 4 . 3 VAL HG2 H .71 . 2 5 . 4 TYR HA H 4.23 . 1 6 . 4 TYR HB2 H 2.59 . 2 7 . 4 TYR HB3 H 3.37 . 2 8 . 4 TYR HD1 H 7.01 . 1 9 . 4 TYR HD2 H 7.01 . 1 10 . 4 TYR HE1 H 6.72 . 1 11 . 4 TYR HE2 H 6.72 . 1 12 . 24 VAL H H 7.11 . 1 13 . 24 VAL HA H 3.69 . 1 14 . 24 VAL HB H 1.58 . 1 15 . 24 VAL HG1 H .28 . 2 16 . 24 VAL HG2 H .7 . 2 17 . 25 VAL HA H 4.55 . 1 18 . 25 VAL HB H 1.73 . 1 19 . 25 VAL HG1 H .69 . 2 20 . 25 VAL HG2 H .81 . 2 21 . 26 TYR HD1 H 6.33 . 1 22 . 26 TYR HD2 H 6.33 . 1 23 . 26 TYR HE1 H 5.99 . 1 24 . 26 TYR HE2 H 5.99 . 1 25 . 32 TRP HB2 H 3.04 . 2 26 . 32 TRP HB3 H 3.19 . 2 27 . 32 TRP HD1 H 6.79 . 1 28 . 32 TRP HE1 H 9.8 . 1 29 . 32 TRP HE3 H 6.34 . 1 30 . 32 TRP HZ2 H 7.09 . 1 31 . 32 TRP HZ3 H 6.22 . 1 32 . 32 TRP HH2 H 6.48 . 1 33 . 50 VAL HA H 4.57 . 1 34 . 50 VAL HB H 2.08 . 1 35 . 50 VAL HG1 H 1.06 . 2 36 . 50 VAL HG2 H 1.25 . 2 37 . 74 PHE HD1 H 6.54 . 1 38 . 74 PHE HD2 H 6.54 . 1 39 . 74 PHE HE1 H 7.37 . 1 40 . 74 PHE HE2 H 7.37 . 1 41 . 74 PHE HZ H 6.19 . 1 42 . 75 THR H H 8.11 . 1 43 . 75 THR HA H 4.53 . 1 44 . 75 THR HB H 3.7 . 1 45 . 75 THR HG2 H .77 . 1 46 . 76 TYR HA H 4.19 . 1 47 . 76 TYR HB2 H 2.15 . 2 48 . 76 TYR HB3 H 2.56 . 2 49 . 76 TYR HD1 H 6.95 . 1 50 . 76 TYR HD2 H 6.95 . 1 51 . 76 TYR HE1 H 7.33 . 1 52 . 76 TYR HE2 H 7.33 . 1 53 . 80 THR H H 8.79 . 1 54 . 80 THR HA H 5.62 . 1 55 . 80 THR HB H 4.12 . 1 56 . 80 THR HG2 H 1.19 . 1 57 . 81 PHE HA H 4.31 . 1 58 . 81 PHE HB2 H 2.65 . 2 59 . 81 PHE HB3 H 3.53 . 2 60 . 81 PHE HD1 H 7.25 . 1 61 . 81 PHE HD2 H 7.25 . 1 62 . 81 PHE HE1 H 7.54 . 1 63 . 81 PHE HE2 H 7.54 . 1 64 . 81 PHE HZ H 6.9 . 1 65 . 82 TYR HB2 H 2.94 . 2 66 . 82 TYR HB3 H 3.1 . 2 67 . 82 TYR HD1 H 6.89 . 1 68 . 82 TYR HD2 H 6.89 . 1 69 . 82 TYR HE1 H 6.67 . 1 70 . 82 TYR HE2 H 6.67 . 1 71 . 85 THR H H 8.55 . 1 72 . 85 THR HA H 4.81 . 1 73 . 85 THR HB H 3.54 . 1 74 . 85 THR HG2 H -.2 . 1 75 . 95 TRP H H 9.63 . 1 76 . 95 TRP HA H 5.86 . 1 77 . 95 TRP HB2 H 3.38 . 2 78 . 95 TRP HB3 H 2.93 . 2 79 . 95 TRP HD1 H 7.33 . 1 80 . 95 TRP HE1 H 9.95 . 1 81 . 95 TRP HE3 H 6.66 . 1 82 . 95 TRP HZ2 H 6.38 . 1 83 . 95 TRP HZ3 H 5.28 . 1 84 . 95 TRP HH2 H 5.63 . 1 85 . 102 TYR HD1 H 7.4 . 1 86 . 102 TYR HD2 H 7.4 . 1 87 . 102 TYR HE1 H 6.4 . 1 88 . 102 TYR HE2 H 6.4 . 1 89 . 108 TYR H H 9.22 . 1 90 . 108 TYR HA H 5.79 . 1 91 . 108 TYR HB2 H 2.87 . 2 92 . 108 TYR HB3 H 3.12 . 2 93 . 108 TYR HD1 H 6.58 . 1 94 . 108 TYR HD2 H 6.58 . 1 95 . 108 TYR HE1 H 6.35 . 1 96 . 108 TYR HE2 H 6.35 . 1 97 . 110 PHE H H 7.96 . 1 98 . 110 PHE HA H 5.7 . 1 99 . 110 PHE HB2 H 2.66 . 2 100 . 110 PHE HB3 H 2.81 . 2 101 . 110 PHE HD1 H 7.2 . 1 102 . 110 PHE HD2 H 7.2 . 1 103 . 110 PHE HE1 H 7.15 . 1 104 . 110 PHE HE2 H 7.15 . 1 105 . 110 PHE HZ H 7.3 . 1 stop_ save_