data_50127 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Influenza A virus M2 cytoplasmic tail at pH 5.5 ; _BMRB_accession_number 50127 _BMRB_flat_file_name bmr50127.str _Entry_type original _Submission_date 2019-12-13 _Accession_date 2019-12-13 _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 Claridge Jolyon K. . 2 Schnell Jason R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 36 "13C chemical shifts" 97 "15N chemical shifts" 36 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-06-09 original BMRB . stop_ _Original_release_date 2019-12-13 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; pH-dependent Secondary Structure Propensity of the Influenza A Virus M2 Cytoplasmic Tail ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32157574 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Claridge Jolyon K. . 2 Mohd-Kipli Faiz . . 3 Florea Andrei . . 4 Gate Thomas . . 5 Schnell Jason . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 14 _Journal_issue 1 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 157 _Page_last 161 _Year 2020 _Details . loop_ _Keyword 'Influenza, matrix protein 2, M2' stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'Influenza A virus matrix 2 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Influenza A virus matrix 2 protein' $entity_1 stop_ _System_molecular_weight 6740 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Several roles in the life cycle of Influenza A virus' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 58 _Mol_residue_sequence ; GPGSDRLFFKCIYRRFKYGL KRGPSTEGVPESMREEYQQE QQSAVDVDDGHFVNIELE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 40 GLY 2 41 PRO 3 42 GLY 4 43 SER 5 44 ASP 6 45 ARG 7 46 LEU 8 47 PHE 9 48 PHE 10 49 LYS 11 50 CYS 12 51 ILE 13 52 TYR 14 53 ARG 15 54 ARG 16 55 PHE 17 56 LYS 18 57 TYR 19 58 GLY 20 59 LEU 21 60 LYS 22 61 ARG 23 62 GLY 24 63 PRO 25 64 SER 26 65 THR 27 66 GLU 28 67 GLY 29 68 VAL 30 69 PRO 31 70 GLU 32 71 SER 33 72 MET 34 73 ARG 35 74 GLU 36 75 GLU 37 76 TYR 38 77 GLN 39 78 GLN 40 79 GLU 41 80 GLN 42 81 GLN 43 82 SER 44 83 ALA 45 84 VAL 46 85 ASP 47 86 VAL 48 87 ASP 49 88 ASP 50 89 GLY 51 90 HIS 52 91 PHE 53 92 VAL 54 93 ASN 55 94 ILE 56 95 GLU 57 96 LEU 58 97 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 Uniprot J9V8B5 'Matrix protein 2' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Variant _Gene_mnemonic $entity_1 'Influenza A' 11320 Viruses . Alphainfluenzavirus 'Influenza A' H1N1 'England 2009 250' 'matrix protein 2' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli 'BL21 pLysS' plasmid pMALc stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'M2 cytoplasmic tail; 20 mM NaPO4, 20 mM Na acetate, 137 mM NaCl, 2.7 mM KCl, and pH 5.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.225 mM '[U-99% 13C; U-99% 15N]' NaPO4 20 mM 'natural abundance' 'Na acetate' 20 mM 'natural abundance' NaCl 137 mM 'natural abundance' KCl 2.7 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRPipe _Version 8.7 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CcpNMR _Version 2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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' 0.180 . M pH 5.5 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal 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_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_2 stop_ loop_ _Experiment_label '3D HNCO' '3D HNCA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'Influenza A virus matrix 2 protein' _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 58 19 GLY H H 8.1868 . . 2 58 19 GLY N N 110.396 . . 3 59 20 LEU H H 8.037 . . 4 59 20 LEU N N 121.613 . . 5 61 22 ARG C C 176.257 . . 6 61 22 ARG CA C 55.986 . . 7 62 23 GLY H H 8.314 . . 8 62 23 GLY CA C 44.614 . . 9 62 23 GLY N N 110.663 . . 10 63 24 PRO C C 177.298 . . 11 63 24 PRO CA C 63.371 . . 12 64 25 SER H H 8.497 . . 13 64 25 SER C C 175.054 . . 14 64 25 SER CA C 58.486 . . 15 64 25 SER N N 116.419 . . 16 65 26 THR H H 8.205 . . 17 65 26 THR C C 174.582 . . 18 65 26 THR CB C 69.560 . . 19 65 26 THR N N 116.006 . . 20 66 27 GLU H H 8.358 . . 21 66 27 GLU C C 176.777 . . 22 66 27 GLU CB C 30.264 . . 23 66 27 GLU N N 123.424 . . 24 67 28 GLY H H 8.408 . . 25 67 28 GLY C C 173.782 . . 26 67 28 GLY CA C 45.309 . . 27 67 28 GLY N N 110.525 . . 28 68 29 VAL H H 7.919 . . 29 68 29 VAL CA C 59.899 . . 30 68 29 VAL N N 120.649 . . 31 69 30 PRO C C 177.295 . . 32 69 30 PRO CA C 63.434 . . 33 69 30 PRO CB C 32.135 . . 34 70 31 GLU H H 8.681 . . 35 70 31 GLU C C 177.052 . . 36 70 31 GLU CA C 57.903 . . 37 70 31 GLU CB C 29.956 . . 38 70 31 GLU N N 122.001 . . 39 71 32 SER H H 8.255 . . 40 71 32 SER C C 174.791 . . 41 71 32 SER CA C 58.899 . . 42 71 32 SER CB C 63.574 . . 43 71 32 SER N N 115.412 . . 44 72 33 MET H H 8.201 . . 45 72 33 MET C C 176.136 . . 46 72 33 MET CA C 55.667 . . 47 72 33 MET N N 122.073 . . 48 73 34 ARG H H 8.074 . . 49 73 34 ARG C C 176.509 . . 50 73 34 ARG CA C 56.775 . . 51 73 34 ARG CB C 30.810 . . 52 73 34 ARG N N 122.069 . . 53 74 35 GLU H H 8.473 . . 54 74 35 GLU C C 176.680 . . 55 74 35 GLU CA C 57.079 . . 56 74 35 GLU CB C 30.016 . . 57 74 35 GLU N N 122.190 . . 58 75 36 GLU H H 8.436 . . 59 75 36 GLU C C 176.384 . . 60 75 36 GLU CA C 57.065 . . 61 75 36 GLU CB C 29.991 . . 62 75 36 GLU N N 121.541 . . 63 76 37 TYR H H 8.105 . . 64 76 37 TYR C C 175.884 . . 65 76 37 TYR CA C 58.115 . . 66 76 37 TYR CB C 38.661 . . 67 76 37 TYR N N 121.094 . . 68 77 38 GLN H H 8.180 . . 69 77 38 GLN C C 175.837 . . 70 77 38 GLN CA C 56.064 . . 71 77 38 GLN CB C 29.364 . . 72 77 38 GLN N N 122.252 . . 73 78 39 GLN H H 8.294 . . 74 78 39 GLN C C 176.227 . . 75 78 39 GLN CA C 56.297 . . 76 78 39 GLN CB C 29.519 . . 77 78 39 GLN N N 121.702 . . 78 79 40 GLU H H 8.460 . . 79 79 40 GLU C C 176.590 . . 80 79 40 GLU CA C 56.900 . . 81 79 40 GLU CB C 30.120 . . 82 79 40 GLU N N 122.297 . . 83 80 41 GLN H H 8.376 . . 84 80 41 GLN C C 176.054 . . 85 80 41 GLN CA C 56.071 . . 86 80 41 GLN CB C 29.504 . . 87 80 41 GLN N N 121.555 . . 88 81 42 GLN H H 8.415 . . 89 81 42 GLN C C 175.995 . . 90 81 42 GLN CA C 56.104 . . 91 81 42 GLN CB C 29.569 . . 92 81 42 GLN N N 122.057 . . 93 82 43 SER H H 8.353 . . 94 82 43 SER C C 174.127 . . 95 82 43 SER CA C 58.350 . . 96 82 43 SER CB C 63.952 . . 97 82 43 SER N N 117.554 . . 98 83 44 ALA H H 8.335 . . 99 83 44 ALA C C 177.490 . . 100 83 44 ALA CA C 52.588 . . 101 83 44 ALA CB C 19.395 . . 102 83 44 ALA N N 126.702 . . 103 84 45 VAL H H 8.006 . . 104 84 45 VAL C C 175.720 . . 105 84 45 VAL CA C 62.142 . . 106 84 45 VAL CB C 32.962 . . 107 84 45 VAL N N 118.672 . . 108 85 46 ASP H H 8.359 . . 109 85 46 ASP C C 176.049 . . 110 85 46 ASP CA C 54.254 . . 111 85 46 ASP CB C 41.086 . . 112 85 46 ASP N N 124.243 . . 113 86 47 VAL H H 8.038 . . 114 86 47 VAL C C 175.786 . . 115 86 47 VAL CA C 62.235 . . 116 86 47 VAL CB C 32.984 . . 117 86 47 VAL N N 120.054 . . 118 87 48 ASP H H 8.391 . . 119 87 48 ASP C C 175.962 . . 120 87 48 ASP CA C 54.282 . . 121 87 48 ASP CB C 41.229 . . 122 87 48 ASP N N 124.056 . . 123 88 49 ASP H H 8.268 . . 124 88 49 ASP C C 177.047 . . 125 88 49 ASP CA C 54.455 . . 126 88 49 ASP CB C 40.972 . . 127 88 49 ASP N N 122.101 . . 128 89 50 GLY H H 8.451 . . 129 89 50 GLY C C 174.441 . . 130 89 50 GLY CA C 45.796 . . 131 89 50 GLY N N 109.293 . . 132 90 51 HIS H H 8.195 . . 133 90 51 HIS C C 174.091 . . 134 90 51 HIS CA C 55.683 . . 135 90 51 HIS CB C 28.629 . . 136 90 51 HIS N N 118.387 . . 137 91 52 PHE H H 8.305 . . 138 91 52 PHE C C 175.395 . . 139 91 52 PHE CA C 57.871 . . 140 91 52 PHE CB C 39.577 . . 141 91 52 PHE N N 121.855 . . 142 92 53 VAL H H 7.996 . . 143 92 53 VAL C C 175.094 . . 144 92 53 VAL CA C 62.030 . . 145 92 53 VAL CB C 33.177 . . 146 92 53 VAL N N 122.474 . . 147 93 54 ASN H H 8.435 . . 148 93 54 ASN C C 174.919 . . 149 93 54 ASN CA C 53.160 . . 150 93 54 ASN CB C 39.044 . . 151 93 54 ASN N N 123.307 . . 152 94 55 ILE H H 8.092 . . 153 94 55 ILE C C 175.854 . . 154 94 55 ILE CA C 61.293 . . 155 94 55 ILE CB C 38.944 . . 156 94 55 ILE N N 122.016 . . 157 95 56 GLU H H 8.412 . . 158 95 56 GLU C C 176.013 . . 159 95 56 GLU CA C 56.375 . . 160 95 56 GLU CB C 30.012 . . 161 95 56 GLU N N 124.919 . . 162 96 57 LEU H H 8.203 . . 163 96 57 LEU C C 176.325 . . 164 96 57 LEU CA C 55.169 . . 165 96 57 LEU CB C 42.607 . . 166 96 57 LEU N N 124.283 . . 167 97 58 GLU H H 7.881 . . 168 97 58 GLU CA C 57.845 . . 169 97 58 GLU N N 126.733 . . stop_ save_