data_16131 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the Colicin N Tdomain residues 40-76 ; _BMRB_accession_number 16131 _BMRB_flat_file_name bmr16131.str _Entry_type original _Submission_date 2009-01-23 _Accession_date 2009-01-23 _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 Moore Geoffrey . . 2 Oliver Hecht . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 35 "13C chemical shifts" 104 "15N chemical shifts" 35 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-05-05 update BMRB 'complete entry citation' 2009-03-30 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16130 'Tdom 40-76 TolAIII complex' 16133 TolAIII 16134 TolAIII+tdom stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A common interaction for the entry of colicin N and filamentous phage into Escherichia coli' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19306883 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hecht Oliver . . 2 Ridley Helen . . 3 Lakey Jeremy . . 4 Moore Geoffrey . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 388 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 880 _Page_last 893 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Tdom40-76 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Tdom40-76 $Tdom40-47 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_Tdom40-47 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Tdom40-47 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; MGSNGADNAHNNAFGGGKNP GIGNTSGAGSNGSASSNRGN SNGWSWSNKPHKNDGFHSDG SYHITFHGDNNSKPKPGGNS GNRGNNGDGA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 ASN 5 GLY 6 ALA 7 ASP 8 ASN 9 ALA 10 HIS 11 ASN 12 ASN 13 ALA 14 PHE 15 GLY 16 GLY 17 GLY 18 LYS 19 ASN 20 PRO 21 GLY 22 ILE 23 GLY 24 ASN 25 THR 26 SER 27 GLY 28 ALA 29 GLY 30 SER 31 ASN 32 GLY 33 SER 34 ALA 35 SER 36 SER 37 ASN 38 ARG 39 GLY 40 ASN 41 SER 42 ASN 43 GLY 44 TRP 45 SER 46 TRP 47 SER 48 ASN 49 LYS 50 PRO 51 HIS 52 LYS 53 ASN 54 ASP 55 GLY 56 PHE 57 HIS 58 SER 59 ASP 60 GLY 61 SER 62 TYR 63 HIS 64 ILE 65 THR 66 PHE 67 HIS 68 GLY 69 ASP 70 ASN 71 ASN 72 SER 73 LYS 74 PRO 75 LYS 76 PRO 77 GLY 78 GLY 79 ASN 80 SER 81 GLY 82 ASN 83 ARG 84 GLY 85 ASN 86 ASN 87 GLY 88 ASP 89 GLY 90 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 15506 Colicin_N_T_domain 98.89 90 100.00 100.00 4.02e-49 BMRB 16130 Tdom40-76 100.00 90 100.00 100.00 2.79e-50 EMBL CAA68592 "unnamed protein product [Escherichia coli]" 100.00 387 100.00 100.00 3.21e-51 EMBL CTB58308 "colicin E1 protein [Shigella sonnei]" 100.00 387 98.89 100.00 9.91e-51 GB EMX27764 "colicin-N [Escherichia coli MP021561.2]" 100.00 387 100.00 100.00 3.25e-51 GB EMZ96444 "colicin-N [Escherichia coli P0299917.1]" 100.00 387 100.00 100.00 3.28e-51 GB KHH25654 "colicin-N [Escherichia coli]" 100.00 387 98.89 100.00 9.60e-51 GB KHH41883 "colicin-N [Escherichia coli]" 100.00 387 100.00 100.00 3.21e-51 GB KHH74941 "colicin-N [Escherichia coli]" 100.00 387 100.00 100.00 3.21e-51 REF WP_001749638 "colicin N [Escherichia coli]" 100.00 387 100.00 100.00 3.28e-51 REF WP_004026235 "colicin N [Escherichia coli]" 100.00 387 100.00 100.00 3.25e-51 REF WP_024139131 "colicin N [Salmonella enterica]" 100.00 387 98.89 100.00 1.11e-50 REF WP_032488335 "colicin N [Escherichia coli]" 100.00 387 100.00 100.00 3.21e-51 REF WP_040089861 "MULTISPECIES: colicin N [Enterobacteriaceae]" 100.00 387 98.89 100.00 9.91e-51 SP P08083 "RecName: Full=Colicin-N" 100.00 387 100.00 100.00 3.21e-51 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Tdom40-47 'E. coli' 562 Bacteria . 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 $Tdom40-47 'recombinant technology' . Escherichia coli . ptoletdom stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Tdom40-47 1.2 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address '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 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . 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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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' 0.35 . M pH 6.8 . pH pressure 1 . atm temperature 300 . 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_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' 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 Tdom40-76 _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 38 38 ARG CA C 43.363 . 1 2 39 39 GLY H H 8.706 . 1 3 39 39 GLY CA C 58.392 . 1 4 39 39 GLY N N 115.760 . 1 5 40 40 ASN H H 8.717 . 1 6 40 40 ASN C C 174.468 . 1 7 40 40 ASN CA C 53.266 . 1 8 40 40 ASN CB C 38.815 . 1 9 40 40 ASN N N 120.914 . 1 10 41 41 SER H H 8.413 . 1 11 41 41 SER C C 175.571 . 1 12 41 41 SER CA C 58.648 . 1 13 41 41 SER CB C 63.534 . 1 14 41 41 SER N N 116.354 . 1 15 42 42 ASN H H 8.499 . 1 16 42 42 ASN C C 174.594 . 1 17 42 42 ASN CA C 53.419 . 1 18 42 42 ASN CB C 38.722 . 1 19 42 42 ASN N N 120.461 . 1 20 43 43 GLY H H 8.336 . 1 21 43 43 GLY C C 175.770 . 1 22 43 43 GLY CA C 45.418 . 1 23 43 43 GLY N N 108.929 . 1 24 44 44 TRP H H 8.085 . 1 25 44 44 TRP C C 174.130 . 1 26 44 44 TRP CA C 57.349 . 1 27 44 44 TRP CB C 29.589 . 1 28 44 44 TRP N N 120.877 . 1 29 45 45 SER H H 8.155 . 1 30 45 45 SER C C 176.575 . 1 31 45 45 SER CA C 58.288 . 1 32 45 45 SER CB C 63.793 . 1 33 45 45 SER N N 117.479 . 1 34 46 46 TRP H H 8.018 . 1 35 46 46 TRP C C 174.346 . 1 36 46 46 TRP CA C 57.701 . 1 37 46 46 TRP CB C 29.332 . 1 38 46 46 TRP N N 122.494 . 1 39 47 47 SER H H 8.050 . 1 40 47 47 SER C C 176.519 . 1 41 47 47 SER CA C 58.736 . 1 42 47 47 SER CB C 61.125 . 1 43 47 47 SER N N 116.103 . 1 44 48 48 ASN H H 8.280 . 1 45 48 48 ASN C C 174.238 . 1 46 48 48 ASN CA C 53.059 . 1 47 48 48 ASN CB C 38.702 . 1 48 48 48 ASN N N 120.401 . 1 49 49 49 LYS H H 8.074 . 1 50 49 49 LYS C C 174.730 . 1 51 49 49 LYS CA C 54.473 . 1 52 49 49 LYS CB C 32.874 . 1 53 49 49 LYS N N 122.092 . 1 54 50 50 PRO CA C 63.098 . 1 55 50 50 PRO CB C 32.077 . 1 56 51 51 HIS H H 8.601 . 1 57 51 51 HIS C C 176.863 . 1 58 51 51 HIS CA C 55.068 . 1 59 51 51 HIS CB C 29.101 . 1 60 51 51 HIS N N 119.053 . 1 61 52 52 LYS H H 8.434 . 1 62 52 52 LYS C C 174.636 . 1 63 52 52 LYS CA C 56.635 . 1 64 52 52 LYS CB C 33.108 . 1 65 52 52 LYS N N 122.875 . 1 66 53 53 ASN H H 8.706 . 1 67 53 53 ASN C C 176.346 . 1 68 53 53 ASN CA C 53.200 . 1 69 53 53 ASN CB C 38.706 . 1 70 53 53 ASN N N 120.233 . 1 71 54 54 ASP H H 8.392 . 1 72 54 54 ASP C C 175.072 . 1 73 54 54 ASP CA C 54.283 . 1 74 54 54 ASP CB C 41.093 . 1 75 54 54 ASP N N 121.032 . 1 76 55 55 GLY H H 8.435 . 1 77 55 55 GLY C C 176.776 . 1 78 55 55 GLY CA C 45.293 . 1 79 55 55 GLY N N 108.689 . 1 80 56 56 PHE H H 8.211 . 1 81 56 56 PHE C C 174.117 . 1 82 56 56 PHE CA C 57.959 . 1 83 56 56 PHE CB C 39.555 . 1 84 56 56 PHE N N 120.087 . 1 85 57 57 HIS H H 8.469 . 1 86 57 57 HIS C C 175.800 . 1 87 57 57 HIS CA C 55.032 . 1 88 57 57 HIS CB C 29.206 . 1 89 57 57 HIS N N 120.813 . 1 90 58 58 SER H H 8.439 . 1 91 58 58 SER C C 174.448 . 1 92 58 58 SER CA C 58.381 . 1 93 58 58 SER CB C 63.771 . 1 94 58 58 SER N N 117.403 . 1 95 59 59 ASP H H 8.566 . 1 96 59 59 ASP C C 174.478 . 1 97 59 59 ASP CA C 54.216 . 1 98 59 59 ASP CB C 40.985 . 1 99 59 59 ASP N N 122.522 . 1 100 60 60 GLY H H 8.499 . 1 101 60 60 GLY C C 176.996 . 1 102 60 60 GLY CA C 45.602 . 1 103 60 60 GLY N N 109.373 . 1 104 61 61 SER H H 8.318 . 1 105 61 61 SER C C 174.640 . 1 106 61 61 SER CA C 58.607 . 1 107 61 61 SER CB C 63.902 . 1 108 61 61 SER N N 115.890 . 1 109 62 62 TYR H H 8.200 . 1 110 62 62 TYR C C 174.268 . 1 111 62 62 TYR CA C 58.052 . 1 112 62 62 TYR CB C 38.765 . 1 113 62 62 TYR N N 121.835 . 1 114 63 63 HIS H H 8.337 . 1 115 63 63 HIS C C 175.499 . 1 116 63 63 HIS CA C 54.849 . 1 117 63 63 HIS CB C 29.270 . 1 118 63 63 HIS N N 121.072 . 1 119 64 64 ILE H H 8.203 . 1 120 64 64 ILE C C 174.036 . 1 121 64 64 ILE CA C 61.204 . 1 122 64 64 ILE CB C 38.792 . 1 123 64 64 ILE N N 122.574 . 1 124 65 65 THR H H 8.256 . 1 125 65 65 THR C C 176.144 . 1 126 65 65 THR CA C 61.737 . 1 127 65 65 THR CB C 65.842 . 1 128 65 65 THR N N 118.608 . 1 129 66 66 PHE H H 8.403 . 1 130 66 66 PHE C C 173.936 . 1 131 66 66 PHE CA C 57.781 . 1 132 66 66 PHE CB C 39.729 . 1 133 66 66 PHE N N 123.564 . 1 134 67 67 HIS H H 8.537 . 1 135 67 67 HIS C C 175.422 . 1 136 67 67 HIS CA C 55.050 . 1 137 67 67 HIS CB C 29.107 . 1 138 67 67 HIS N N 121.662 . 1 139 68 68 GLY H H 7.927 . 1 140 68 68 GLY C C 174.679 . 1 141 68 68 GLY CA C 45.225 . 1 142 68 68 GLY N N 109.816 . 1 143 69 69 ASP H H 8.412 . 1 144 69 69 ASP C C 173.677 . 1 145 69 69 ASP CA C 54.077 . 1 146 69 69 ASP CB C 41.236 . 1 147 69 69 ASP N N 120.429 . 1 148 70 70 ASN H H 8.615 . 1 149 70 70 ASN C C 176.400 . 1 150 70 70 ASN CA C 53.538 . 1 151 70 70 ASN CB C 38.650 . 1 152 70 70 ASN N N 119.423 . 1 153 71 71 ASN H H 8.591 . 1 154 71 71 ASN C C 175.424 . 1 155 71 71 ASN CA C 53.524 . 1 156 71 71 ASN CB C 38.864 . 1 157 71 71 ASN N N 119.053 . 1 158 72 72 SER H H 8.277 . 1 159 72 72 SER C C 175.413 . 1 160 72 72 SER CA C 58.470 . 1 161 72 72 SER CB C 63.761 . 1 162 72 72 SER N N 115.892 . 1 163 73 73 LYS H H 8.274 . 1 164 73 73 LYS C C 174.185 . 1 165 73 73 LYS CA C 54.442 . 1 166 73 73 LYS CB C 32.875 . 1 167 73 73 LYS N N 124.074 . 1 168 74 74 PRO CA C 62.989 . 1 169 74 74 PRO CB C 32.123 . 1 170 75 75 LYS H H 8.391 . 1 171 75 75 LYS C C 176.638 . 1 172 75 75 LYS CA C 54.208 . 1 173 75 75 LYS CB C 32.729 . 1 174 75 75 LYS N N 123.210 . 1 stop_ save_