data_448 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Helix Formation and Stability in a Signal Sequence ; _BMRB_accession_number 448 _BMRB_flat_file_name bmr448.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 Bruch Martha D. . 2 McKnight C. James . 3 Gierasch Lila M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-11 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Bruch, Martha D., McKnight, C. James, Gierasch, Lila M., "Helix Formation and Stability in a Signal Sequence," Biochemistry 28, 8554-8561 (1989). ; _Citation_title 'Helix Formation and Stability in a Signal Sequence' _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 Bruch Martha D. . 2 McKnight C. James . 3 Gierasch Lila M. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 28 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8554 _Page_last 8561 _Year 1989 _Details . save_ ################################## # Molecular system description # ################################## save_system_maltoporin _Saveframe_category molecular_system _Mol_system_name maltoporin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label maltoporin $maltoporin stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_maltoporin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common maltoporin _Name_variant 'residues 1-25' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 25 _Mol_residue_sequence ; MMITLRKLPLAVAVAAGVMS AQAMA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 MET 3 ILE 4 THR 5 LEU 6 ARG 7 LYS 8 LEU 9 PRO 10 LEU 11 ALA 12 VAL 13 ALA 14 VAL 15 ALA 16 ALA 17 GLY 18 VAL 19 MET 20 SER 21 ALA 22 GLN 23 ALA 24 MET 25 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-14 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 1178 maltoporin 100.00 25 100.00 100.00 1.57e-05 BMRB 1692 "synthesized signal peptide" 100.00 25 100.00 100.00 1.57e-05 BMRB 4481 maltoporin 100.00 25 100.00 100.00 1.57e-05 DBJ BAB38442 "maltose high-affinity receptor LamB [Escherichia coli O157:H7 str. Sakai]" 100.00 446 100.00 100.00 4.31e-06 DBJ BAE78038 "maltose outer membrane porin [Escherichia coli str. K12 substr. W3110]" 100.00 446 100.00 100.00 4.31e-06 DBJ BAG79851 "phage lambda receptor protein [Escherichia coli SE11]" 100.00 446 100.00 100.00 4.31e-06 DBJ BAI28298 "maltose outer membrane porin [Escherichia coli O26:H11 str. 11368]" 100.00 446 100.00 100.00 4.31e-06 DBJ BAI33475 "maltose outer membrane porin [Escherichia coli O103:H2 str. 12009]" 100.00 446 100.00 100.00 4.31e-06 EMBL CAA23574 "unnamed protein product [Escherichia coli]" 100.00 35 100.00 100.00 1.16e-05 EMBL CAA23575 "unnamed protein product [Escherichia coli]" 100.00 446 100.00 100.00 4.31e-06 EMBL CAA38187 "lamB(malL) [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 452 100.00 100.00 4.36e-06 EMBL CAD09215 "maltoporin precursor [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 452 100.00 100.00 4.36e-06 EMBL CAP78496 "Maltoporin [Escherichia coli LF82]" 100.00 446 100.00 100.00 4.31e-06 GB AAA24059 "maltoporin precursor, partial [Escherichia coli]" 100.00 156 100.00 100.00 6.46e-07 GB AAA24060 "lambda receptor [Escherichia coli]" 100.00 446 100.00 100.00 4.31e-06 GB AAB59058 "lambda receptor protein [Escherichia coli]" 100.00 446 100.00 100.00 4.31e-06 GB AAC41396 "lambda receptor precursor, partial [Escherichia coli]" 100.00 35 100.00 100.00 1.16e-05 GB AAC43130 "phage lambda receptor protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 446 100.00 100.00 4.31e-06 PIR AF1014 "maltoporin precursor [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 100.00 452 100.00 100.00 4.36e-06 PRF 1307198A maltoporin 100.00 156 100.00 100.00 6.46e-07 REF NP_313046 "maltoporin [Escherichia coli O157:H7 str. Sakai]" 100.00 446 100.00 100.00 4.31e-06 REF NP_418460 "maltose outer membrane porin (maltoporin) [Escherichia coli str. K-12 substr. MG1655]" 100.00 446 100.00 100.00 4.31e-06 REF NP_458529 "maltoporin [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 452 100.00 100.00 4.36e-06 REF NP_463096 "maltoporin [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 452 100.00 100.00 4.36e-06 REF NP_709883 "maltoporin [Shigella flexneri 2a str. 301]" 96.00 445 100.00 100.00 2.68e-05 SP A1AIL4 "RecName: Full=Maltoporin; AltName: Full=Maltose-inducible porin; Flags: Precursor" 100.00 446 100.00 100.00 4.31e-06 SP A7ZUQ8 "RecName: Full=Maltoporin; AltName: Full=Maltose-inducible porin; Flags: Precursor" 100.00 446 100.00 100.00 4.31e-06 SP A8A7D6 "RecName: Full=Maltoporin; AltName: Full=Maltose-inducible porin; Flags: Precursor" 100.00 446 100.00 100.00 4.31e-06 SP A8AN92 "RecName: Full=Maltoporin; AltName: Full=Maltose-inducible porin; Flags: Precursor" 96.00 449 100.00 100.00 2.70e-05 SP A9N1K8 "RecName: Full=Maltoporin; AltName: Full=Maltose-inducible porin; Flags: Precursor" 100.00 452 100.00 100.00 4.36e-06 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $maltoporin 'E. coli' 562 Bacteria . Escherichia coli generic 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 $maltoporin '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_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one 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 7.5 . n/a temperature 298 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label CF3CD2OD H . CH2 ppm 3.88 . . . . . $entry_citation $entry_citation 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 maltoporin _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 . 1 MET HA H 4.09 . 1 2 . 1 MET HB2 H 2.12 . 1 3 . 1 MET HB3 H 2.12 . 1 4 . 1 MET HG2 H 2.54 . 1 5 . 1 MET HG3 H 2.54 . 1 6 . 2 MET H H 8.52 . 1 7 . 2 MET HA H 4.54 . 1 8 . 2 MET HB2 H 1.97 . 2 9 . 2 MET HB3 H 2.03 . 2 10 . 2 MET HG2 H 2.52 . 1 11 . 2 MET HG3 H 2.52 . 1 12 . 3 ILE H H 8 . 1 13 . 3 ILE HA H 4.16 . 1 14 . 3 ILE HB H 1.81 . 1 15 . 3 ILE HD1 H .85 . 1 16 . 4 THR H H 7.71 . 1 17 . 4 THR HA H 4.3 . 1 18 . 4 THR HB H 4.17 . 1 19 . 4 THR HG2 H 1.15 . 1 20 . 5 LEU H H 7.84 . 1 21 . 5 LEU HA H 4.27 . 1 22 . 5 LEU HB2 H 1.59 . 1 23 . 5 LEU HB3 H 1.59 . 1 24 . 5 LEU HG H 1.59 . 1 25 . 5 LEU HD1 H .82 . 2 26 . 5 LEU HD2 H .89 . 2 27 . 6 ARG H H 7.86 . 1 28 . 6 ARG HA H 4.21 . 1 29 . 6 ARG HB2 H 1.74 . 2 30 . 6 ARG HB3 H 1.82 . 2 31 . 6 ARG HG2 H 1.6 . 2 32 . 6 ARG HG3 H 1.64 . 2 33 . 6 ARG HD2 H 3.13 . 1 34 . 6 ARG HD3 H 3.13 . 1 35 . 7 LYS H H 7.81 . 1 36 . 7 LYS HA H 4.29 . 1 37 . 7 LYS HB2 H 1.71 . 2 38 . 7 LYS HB3 H 1.85 . 2 39 . 7 LYS HG2 H 1.35 . 2 40 . 7 LYS HG3 H 1.43 . 2 41 . 7 LYS HD2 H 1.64 . 1 42 . 7 LYS HD3 H 1.64 . 1 43 . 7 LYS HE2 H 2.92 . 1 44 . 7 LYS HE3 H 2.92 . 1 45 . 8 LEU H H 7.68 . 1 46 . 8 LEU HA H 4.54 . 1 47 . 8 LEU HB2 H 1.6 . 1 48 . 8 LEU HB3 H 1.6 . 1 49 . 8 LEU HG H 1.52 . 1 50 . 8 LEU HD1 H .85 . 1 51 . 8 LEU HD2 H .85 . 1 52 . 9 PRO HA H 4.37 . 1 53 . 9 PRO HB2 H 1.83 . 2 54 . 9 PRO HB3 H 2.35 . 2 55 . 9 PRO HG2 H 2 . 1 56 . 9 PRO HG3 H 2 . 1 57 . 9 PRO HD2 H 3.48 . 1 58 . 9 PRO HD3 H 3.48 . 1 59 . 10 LEU H H 7.76 . 1 60 . 10 LEU HA H 4.08 . 1 61 . 10 LEU HB2 H 1.66 . 1 62 . 10 LEU HB3 H 1.66 . 1 63 . 10 LEU HG H 1.6 . 1 64 . 10 LEU HD1 H .85 . 2 65 . 10 LEU HD2 H .9 . 2 66 . 11 ALA H H 7.88 . 1 67 . 11 ALA HA H 3.94 . 1 68 . 11 ALA HB H 1.39 . 1 69 . 12 VAL H H 7.39 . 1 70 . 12 VAL HA H 3.64 . 1 71 . 12 VAL HB H 2.04 . 1 72 . 12 VAL HG1 H .92 . 2 73 . 12 VAL HG2 H .96 . 2 74 . 13 ALA H H 7.63 . 1 75 . 13 ALA HA H 3.98 . 1 76 . 13 ALA HB H 1.44 . 1 77 . 14 VAL H H 8.3 . 1 78 . 14 VAL HA H 3.66 . 1 79 . 14 VAL HB H 2.04 . 1 80 . 14 VAL HG1 H .87 . 2 81 . 14 VAL HG2 H .97 . 2 82 . 15 ALA H H 7.87 . 1 83 . 15 ALA HA H 3.98 . 1 84 . 15 ALA HB H 1.46 . 1 85 . 16 ALA H H 8.55 . 1 86 . 16 ALA HA H 4.05 . 1 87 . 16 ALA HB H 1.42 . 1 88 . 17 GLY H H 8.06 . 1 89 . 17 GLY HA2 H 3.81 . 2 90 . 17 GLY HA3 H 3.92 . 2 91 . 18 VAL H H 8.26 . 1 92 . 18 VAL HA H 3.74 . 1 93 . 18 VAL HB H 2.15 . 1 94 . 18 VAL HG1 H .89 . 2 95 . 18 VAL HG2 H .99 . 2 96 . 19 MET H H 8.38 . 1 97 . 19 MET HA H 4.23 . 1 98 . 19 MET HB2 H 2.01 . 2 99 . 19 MET HB3 H 2.11 . 2 100 . 19 MET HG2 H 2.54 . 2 101 . 19 MET HG3 H 2.62 . 2 102 . 20 SER H H 8.05 . 1 103 . 20 SER HA H 4.23 . 1 104 . 20 SER HB2 H 3.91 . 2 105 . 20 SER HB3 H 4.01 . 2 106 . 21 ALA H H 7.86 . 1 107 . 21 ALA HA H 4.15 . 1 108 . 21 ALA HB H 1.46 . 1 109 . 22 GLN H H 8 . 1 110 . 22 GLN HA H 4.11 . 1 111 . 22 GLN HB2 H 2.09 . 1 112 . 22 GLN HB3 H 2.09 . 1 113 . 22 GLN HG2 H 2.39 . 2 114 . 22 GLN HG3 H 2.45 . 2 115 . 23 ALA H H 7.83 . 1 116 . 23 ALA HA H 4.2 . 1 117 . 23 ALA HB H 1.43 . 1 118 . 24 MET H H 7.71 . 1 119 . 24 MET HA H 4.42 . 1 120 . 24 MET HB2 H 2.05 . 2 121 . 24 MET HB3 H 2.11 . 2 122 . 24 MET HG2 H 2.55 . 2 123 . 24 MET HG3 H 2.66 . 2 124 . 25 ALA H H 7.73 . 1 125 . 25 ALA HA H 4.3 . 1 126 . 25 ALA HB H 1.42 . 1 stop_ save_