data_18814 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 13C and 15N NMR chemical shifts of E. coli full-length H-NS protein ; _BMRB_accession_number 18814 _BMRB_flat_file_name bmr18814.str _Entry_type original _Submission_date 2012-10-31 _Accession_date 2012-10-31 _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 Renault Marie A.M. . 2 Garcia Jesus . . 3 Cordeiro Tiago N. . 4 Baldus Marc . . 5 Pons Miquel . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 155 "15N chemical shifts" 7 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-14 original author . stop_ _Original_release_date 2014-02-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Protein oligomers studied by solid-state NMR--the case of the full-length nucleoid-associated protein histone-like nucleoid structuring protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23601147 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Renault Marie . . 2 Garcia Jesus . . 3 Cordeiro Tiago N. . 4 Baldus Marc . . 5 Pons Miquel . . stop_ _Journal_abbreviation 'FEBS J.' _Journal_name_full 'The FEBS journal' _Journal_volume 280 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2916 _Page_last 2928 _Year 2013 _Details . loop_ _Keyword chromatin H-NS 'sequential assignment' 'solid-state NMR' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'H-NS oligomers' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'H-NS 1-137' $H-NS 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_H-NS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common H-NS _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 137 _Mol_residue_sequence ; MSEALKILNNIRTLRAQARE CTLETLEEMLEKLEVVVNER REEESAAAAEVEERTRKLQQ YREMLIADGIDPNELLNSLA AVKSGTKAKRAQRPAKYSYV DENGETKTWTGQGRTPAVIK KAMDEQGKSLDDFLIKQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 GLU 4 ALA 5 LEU 6 LYS 7 ILE 8 LEU 9 ASN 10 ASN 11 ILE 12 ARG 13 THR 14 LEU 15 ARG 16 ALA 17 GLN 18 ALA 19 ARG 20 GLU 21 CYS 22 THR 23 LEU 24 GLU 25 THR 26 LEU 27 GLU 28 GLU 29 MET 30 LEU 31 GLU 32 LYS 33 LEU 34 GLU 35 VAL 36 VAL 37 VAL 38 ASN 39 GLU 40 ARG 41 ARG 42 GLU 43 GLU 44 GLU 45 SER 46 ALA 47 ALA 48 ALA 49 ALA 50 GLU 51 VAL 52 GLU 53 GLU 54 ARG 55 THR 56 ARG 57 LYS 58 LEU 59 GLN 60 GLN 61 TYR 62 ARG 63 GLU 64 MET 65 LEU 66 ILE 67 ALA 68 ASP 69 GLY 70 ILE 71 ASP 72 PRO 73 ASN 74 GLU 75 LEU 76 LEU 77 ASN 78 SER 79 LEU 80 ALA 81 ALA 82 VAL 83 LYS 84 SER 85 GLY 86 THR 87 LYS 88 ALA 89 LYS 90 ARG 91 ALA 92 GLN 93 ARG 94 PRO 95 ALA 96 LYS 97 TYR 98 SER 99 TYR 100 VAL 101 ASP 102 GLU 103 ASN 104 GLY 105 GLU 106 THR 107 LYS 108 THR 109 TRP 110 THR 111 GLY 112 GLN 113 GLY 114 ARG 115 THR 116 PRO 117 ALA 118 VAL 119 ILE 120 LYS 121 LYS 122 ALA 123 MET 124 ASP 125 GLU 126 GLN 127 GLY 128 LYS 129 SER 130 LEU 131 ASP 132 ASP 133 PHE 134 LEU 135 ILE 136 LYS 137 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 DBJ BAA36117 "global DNA-binding transcriptional dual regulator H-NS [Escherichia coli str. K12 substr. W3110]" 100.00 137 100.00 100.00 2.12e-92 DBJ BAB35162 "DNA-binding protein H-NS [Escherichia coli O157:H7 str. Sakai]" 100.00 137 100.00 100.00 2.12e-92 DBJ BAG76811 "DNA-binding protein [Escherichia coli SE11]" 100.00 137 100.00 100.00 2.12e-92 DBJ BAI25048 "global DNA-binding transcriptional dual regulator H-NS [Escherichia coli O26:H11 str. 11368]" 100.00 137 99.27 100.00 6.32e-92 DBJ BAI30173 "global DNA-binding transcriptional dual regulator H-NS [Escherichia coli O103:H2 str. 12009]" 100.00 137 100.00 100.00 2.12e-92 EMBL CAA30530 "unnamed protein product [Escherichia coli]" 100.00 137 100.00 100.00 2.12e-92 EMBL CAA31522 "unnamed protein product [Shigella flexneri]" 79.56 109 100.00 100.00 2.39e-71 EMBL CAA40507 "DNA-binding protein OsmZ [H-NS(H1a)] [Escherichia coli]" 100.00 137 100.00 100.00 2.12e-92 EMBL CAA42565 "histone-like protein H-NS [Escherichia coli K-12]" 100.00 137 100.00 100.00 2.12e-92 EMBL CAA47322 "virR [Shigella flexneri]" 100.00 137 100.00 100.00 2.12e-92 GB AAC74319 "global DNA-binding transcriptional dual regulator H-NS [Escherichia coli str. K-12 substr. MG1655]" 100.00 137 100.00 100.00 2.12e-92 GB AAG56094 "DNA-binding protein HLP-II (HU, BH2, HD, NS); pleiotropic regulator [Escherichia coli O157:H7 str. EDL933]" 100.00 137 100.00 100.00 2.12e-92 GB AAN42850 "DNA-binding protein HLP-II (HU, BH2, HD, NS); pleiotropic regulator [Shigella flexneri 2a str. 301]" 100.00 137 100.00 100.00 2.12e-92 GB AAN80168 "DNA-binding protein H-NS [Escherichia coli CFT073]" 100.00 137 100.00 100.00 2.12e-92 GB AAP16735 "DNA-binding protein HLP-II (HU, BH2, HD, NS); pleiotropic regulator [Shigella flexneri 2a str. 2457T]" 100.00 137 100.00 100.00 2.12e-92 PRF 1607341A "drdX gene" 100.00 137 100.00 100.00 2.12e-92 REF NP_309766 "global DNA-binding transcriptional dual regulator H-NS [Escherichia coli O157:H7 str. Sakai]" 100.00 137 100.00 100.00 2.12e-92 REF NP_415753 "global DNA-binding transcriptional dual regulator H-NS [Escherichia coli str. K-12 substr. MG1655]" 100.00 137 100.00 100.00 2.12e-92 REF NP_707143 "global DNA-binding transcriptional dual regulator H-NS [Shigella flexneri 2a str. 301]" 100.00 137 100.00 100.00 2.12e-92 REF WP_000004409 "DNA-binding protein H-NS [Escherichia coli]" 100.00 137 99.27 100.00 6.32e-92 REF WP_000330568 "DNA-binding protein, nucleoid-associated, partial [Escherichia coli]" 86.13 118 100.00 100.00 3.60e-78 SP P09120 "RecName: Full=DNA-binding protein H-NS; AltName: Full=Pathogenesis protein KcpA" 100.00 137 100.00 100.00 2.12e-92 SP P0ACF8 "RecName: Full=DNA-binding protein H-NS; AltName: Full=Histone-like protein HLP-II; AltName: Full=Protein B1; AltName: Full=Prot" 100.00 137 100.00 100.00 2.12e-92 SP P0ACF9 "RecName: Full=DNA-binding protein H-NS; AltName: Full=Histone-like protein HLP-II; AltName: Full=Protein B1; AltName: Full=Prot" 100.00 137 100.00 100.00 2.12e-92 SP P0ACG0 "RecName: Full=DNA-binding protein H-NS; AltName: Full=Histone-like protein HLP-II; AltName: Full=Protein B1; AltName: Full=Prot" 100.00 137 100.00 100.00 2.12e-92 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $H-NS '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 $H-NS 'recombinant technology' . Escherichia coli . pET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_H-NS_(1-137) _Saveframe_category sample _Sample_type solid _Details 'precipitate of self-assembled H-NS oligomers' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $H-NS 10 mg '[U-100% 13C; U-100% 15N]' stop_ save_ save_H-NS_(1-47) _Saveframe_category sample _Sample_type solid _Details 'Precipitate of the N-terminus domain of H-NS (1-47)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $H-NS 15 mg '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'Avance III' save_ ############################# # NMR applied experiments # ############################# save_2D_13C-13C_PDSD_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-13C PDSD' _Sample_label $H-NS_(1-47) save_ save_2D_15N-13C_NCACX_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-13C NCACX' _Sample_label $H-NS_(1-47) save_ save_2D_15N-13C_NCOCX_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-13C NCOCX' _Sample_label $H-NS_(1-47) save_ save_2D_13C-13C_PDSD_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-13C PDSD' _Sample_label $H-NS_(1-137) save_ save_2D_15N-13C_NCACX_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-13C NCACX' _Sample_label $H-NS_(1-137) save_ save_2D_15N-13C_NCOCX_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-13C NCOCX' _Sample_label $H-NS_(1-137) save_ save_3D_15N-13C-13C_NCOCX_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-13C-13C NCOCX' _Sample_label $H-NS_(1-137) save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'precipitation with 70% ammonium sulphate' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.25 . M pH 7.0 . 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 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na 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 13C-13C PDSD' '2D 15N-13C NCACX' '3D 15N-13C-13C NCOCX' stop_ loop_ _Sample_label $H-NS_(1-137) stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'H-NS 1-137' _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 1 MET CE C 18.921 . . 2 2 2 SER CA C 59.067 . . 3 2 2 SER CB C 64.198 . . 4 3 3 GLU CA C 59.628 . . 5 3 3 GLU CB C 30.004 . . 6 3 3 GLU CG C 36.556 . . 7 4 4 ALA CA C 55.042 . . 8 4 4 ALA CB C 18.776 . . 9 5 5 LEU C C 178.503 . . 10 5 5 LEU CA C 58.303 . . 11 5 5 LEU CB C 42.159 . . 12 5 5 LEU CG C 27.597 . . 13 5 5 LEU CD1 C 23.071 . . 14 5 5 LEU CD2 C 22.933 . . 15 6 6 LYS CA C 59.750 . . 16 6 6 LYS CB C 32.821 . . 17 6 6 LYS CG C 27.667 . . 18 6 6 LYS CD C 29.994 . . 19 6 6 LYS CE C 43.072 . . 20 7 7 ILE C C 178.094 . . 21 7 7 ILE CA C 66.973 . . 22 7 7 ILE CB C 38.312 . . 23 7 7 ILE CG1 C 28.915 . . 24 7 7 ILE CG2 C 17.270 . . 25 7 7 ILE CD1 C 14.324 . . 26 8 8 LEU C C 178.422 . . 27 8 8 LEU CA C 60.803 . . 28 8 8 LEU CB C 41.080 . . 29 8 8 LEU CG C 27.398 . . 30 8 8 LEU CD1 C 22.781 . . 31 9 9 ASN CA C 53.787 . . 32 9 9 ASN CB C 41.112 . . 33 10 10 ASN CA C 52.354 . . 34 10 10 ASN CB C 40.375 . . 35 11 11 ILE C C 175.377 . . 36 11 11 ILE CA C 65.387 . . 37 11 11 ILE CB C 39.193 . . 38 11 11 ILE CG1 C 30.793 . . 39 11 11 ILE CG2 C 17.650 . . 40 11 11 ILE CD1 C 14.685 . . 41 12 12 ARG CA C 60.416 . . 42 12 12 ARG CB C 30.844 . . 43 12 12 ARG CG C 28.245 . . 44 12 12 ARG CD C 43.466 . . 45 13 13 THR C C 176.098 . . 46 13 13 THR CA C 66.058 . . 47 13 13 THR CB C 68.769 . . 48 13 13 THR CG2 C 23.215 . . 49 13 13 THR N N 116.250 . . 50 14 14 LEU CA C 58.625 . . 51 14 14 LEU CB C 40.756 . . 52 14 14 LEU CG C 27.958 . . 53 14 14 LEU CD1 C 25.473 . . 54 14 14 LEU CD2 C 23.006 . . 55 16 16 ALA CA C 55.061 . . 56 16 16 ALA CB C 18.923 . . 57 18 18 ALA CA C 55.023 . . 58 18 18 ALA CB C 18.907 . . 59 19 19 ARG CA C 60.634 . . 60 19 19 ARG CB C 30.507 . . 61 19 19 ARG CG C 27.523 . . 62 19 19 ARG CD C 43.587 . . 63 20 20 GLU CA C 59.732 . . 64 20 20 GLU CB C 29.683 . . 65 20 20 GLU CG C 36.541 . . 66 20 20 GLU CD C 184.084 . . 67 21 21 CYS C C 174.981 . . 68 21 21 CYS CA C 57.850 . . 69 21 21 CYS CB C 31.079 . . 70 22 22 THR C C 175.251 . . 71 22 22 THR CA C 61.216 . . 72 22 22 THR CB C 70.932 . . 73 22 22 THR CG2 C 22.679 . . 74 22 22 THR N N 113.319 . . 75 23 23 LEU C C 178.549 . . 76 23 23 LEU CA C 58.181 . . 77 23 23 LEU CB C 41.045 . . 78 23 23 LEU CG C 27.179 . . 79 23 23 LEU CD1 C 22.755 . . 80 23 23 LEU N N 122.806 . . 81 24 24 GLU C C 179.170 . . 82 24 24 GLU CA C 60.222 . . 83 24 24 GLU CB C 29.642 . . 84 24 24 GLU CG C 36.648 . . 85 24 24 GLU CD C 184.016 . . 86 24 24 GLU N N 117.141 . . 87 25 25 THR C C 176.099 . . 88 25 25 THR CA C 66.808 . . 89 25 25 THR CB C 68.734 . . 90 25 25 THR CG2 C 22.537 . . 91 25 25 THR N N 117.149 . . 92 26 26 LEU C C 178.750 . . 93 26 26 LEU CA C 58.332 . . 94 26 26 LEU CB C 42.361 . . 95 26 26 LEU CG C 27.007 . . 96 26 26 LEU CD1 C 22.733 . . 97 26 26 LEU CD2 C 23.401 . . 98 26 26 LEU N N 121.637 . . 99 27 27 GLU CA C 59.590 . . 100 27 27 GLU CB C 29.736 . . 101 27 27 GLU CG C 36.622 . . 102 34 34 GLU CA C 57.654 . . 103 34 34 GLU CB C 29.788 . . 104 34 34 GLU CG C 38.014 . . 105 35 35 VAL C C 178.894 . . 106 35 35 VAL CA C 67.000 . . 107 35 35 VAL CB C 31.944 . . 108 35 35 VAL CG1 C 24.021 . . 109 35 35 VAL CG2 C 21.479 . . 110 36 36 VAL C C 178.480 . . 111 36 36 VAL CA C 67.564 . . 112 36 36 VAL CB C 31.900 . . 113 36 36 VAL CG1 C 23.614 . . 114 37 37 VAL C C 177.899 . . 115 37 37 VAL CA C 67.838 . . 116 37 37 VAL CB C 31.663 . . 117 37 37 VAL CG1 C 24.949 . . 118 37 37 VAL CG2 C 21.655 . . 119 37 37 VAL N N 119.142 . . 120 38 38 ASN CA C 57.242 . . 121 38 38 ASN CB C 38.183 . . 122 44 44 GLU CB C 29.606 . . 123 45 45 SER CA C 59.157 . . 124 45 45 SER CB C 64.150 . . 125 46 46 ALA CA C 53.612 . . 126 46 46 ALA CB C 19.992 . . 127 67 67 ALA CA C 54.663 . . 128 67 67 ALA CB C 18.240 . . 129 68 68 ASP CA C 53.039 . . 130 68 68 ASP CB C 40.493 . . 131 69 69 GLY C C 175.112 . . 132 69 69 GLY CA C 46.003 . . 133 70 70 ILE CA C 64.721 . . 134 70 70 ILE CB C 37.061 . . 135 70 70 ILE CG1 C 27.512 . . 136 70 70 ILE CG2 C 16.220 . . 137 70 70 ILE CD1 C 12.822 . . 138 71 71 ASP CA C 56.371 . . 139 71 71 ASP CB C 39.447 . . 140 72 72 PRO CA C 65.274 . . 141 72 72 PRO CB C 32.598 . . 142 72 72 PRO CG C 27.937 . . 143 72 72 PRO CD C 50.600 . . 144 73 73 ASN CA C 52.970 . . 145 73 73 ASN CB C 39.669 . . 146 74 74 GLU CG C 35.510 . . 147 94 94 PRO CA C 62.233 . . 148 94 94 PRO CB C 32.552 . . 149 94 94 PRO CG C 27.795 . . 150 94 94 PRO CD C 50.701 . . 151 95 95 ALA CA C 54.776 . . 152 95 95 ALA CB C 18.548 . . 153 115 115 THR C C 174.642 . . 154 115 115 THR CA C 62.119 . . 155 115 115 THR CB C 69.682 . . 156 115 115 THR CG2 C 20.712 . . 157 116 116 PRO CA C 62.513 . . 158 116 116 PRO CB C 31.955 . . 159 116 116 PRO CG C 27.450 . . 160 116 116 PRO CD C 48.773 . . 161 117 117 ALA CA C 54.565 . . 162 117 117 ALA CB C 18.403 . . stop_ save_