data_26793 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of p24 GOLD domain ; _BMRB_accession_number 26793 _BMRB_flat_file_name bmr26793.str _Entry_type original _Submission_date 2016-05-10 _Accession_date 2016-05-10 _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 Yamaguchi Yoshiki . . 2 Nagae Masamichi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 48 "13C chemical shifts" 85 "15N chemical shifts" 48 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-14 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26792 'Backbone assignment of p23 GOLD domain' stop_ _Original_release_date 2016-10-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 3D structure and interaction of p24beta and p24delta Golgi dynamics domains: implications for p24 complex formation and cargo transport ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27569046 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nagae Masamichi . . 2 Hirata Tetsuya . . 3 Morita-Matsumoto Kana . . 4 Theiler Romina . . 5 Fujita Morihisa . . 6 Kinoshita Taroh . . 7 Yamaguchi Yoshiki . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 428 _Journal_issue 20 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4087 _Page_last 4099 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name monomer _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'GOLD domain' $p24 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_p24 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p24 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; GSSGYFVSIDAHAEECFFER VTSGTKMGLIFEVAEGGFLD IDVEITGPDNKGIYKGDRES SGKYTFAAHMDGTYKFCFSN RMSTMTPKIVMFTIDIGEAP K ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 17 GLY 2 18 SER 3 19 SER 4 20 GLY 5 21 TYR 6 22 PHE 7 23 VAL 8 24 SER 9 25 ILE 10 26 ASP 11 27 ALA 12 28 HIS 13 29 ALA 14 30 GLU 15 31 GLU 16 32 CYS 17 33 PHE 18 34 PHE 19 35 GLU 20 36 ARG 21 37 VAL 22 38 THR 23 39 SER 24 40 GLY 25 41 THR 26 42 LYS 27 43 MET 28 44 GLY 29 45 LEU 30 46 ILE 31 47 PHE 32 48 GLU 33 49 VAL 34 50 ALA 35 51 GLU 36 52 GLY 37 53 GLY 38 54 PHE 39 55 LEU 40 56 ASP 41 57 ILE 42 58 ASP 43 59 VAL 44 60 GLU 45 61 ILE 46 62 THR 47 63 GLY 48 64 PRO 49 65 ASP 50 66 ASN 51 67 LYS 52 68 GLY 53 69 ILE 54 70 TYR 55 71 LYS 56 72 GLY 57 73 ASP 58 74 ARG 59 75 GLU 60 76 SER 61 77 SER 62 78 GLY 63 79 LYS 64 80 TYR 65 81 THR 66 82 PHE 67 83 ALA 68 84 ALA 69 85 HIS 70 86 MET 71 87 ASP 72 88 GLY 73 89 THR 74 90 TYR 75 91 LYS 76 92 PHE 77 93 CYS 78 94 PHE 79 95 SER 80 96 ASN 81 97 ARG 82 98 MET 83 99 SER 84 100 THR 85 101 MET 86 102 THR 87 103 PRO 88 104 LYS 89 105 ILE 90 106 VAL 91 107 MET 92 108 PHE 93 109 THR 94 110 ILE 95 111 ASP 96 112 ILE 97 113 GLY 98 114 GLU 99 115 ALA 100 116 PRO 101 117 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $p24 'Norway rat' 10116 Eukaryota Metazoa Rattus norvegicus 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 $p24 'recombinant technology' . Escherichia coli . pCold 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 $p24 0.5 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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' 150 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' 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 'GOLD domain' _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 29 13 ALA H H 7.63 0.02 1 2 29 13 ALA CA C 46.4 0.2 1 3 29 13 ALA CB C 18.0 0.2 1 4 29 13 ALA N N 121.7 0.2 1 5 30 14 GLU H H 7.93 0.02 1 6 30 14 GLU CA C 49.8 0.2 1 7 30 14 GLU CB C 29.3 0.2 1 8 30 14 GLU N N 117.9 0.2 1 9 31 15 GLU H H 8.67 0.02 1 10 31 15 GLU CA C 50.0 0.2 1 11 31 15 GLU CB C 29.2 0.2 1 12 31 15 GLU N N 123.6 0.2 1 13 36 20 ARG H H 8.95 0.02 1 14 36 20 ARG CA C 50.6 0.2 1 15 36 20 ARG CB C 26.7 0.2 1 16 36 20 ARG N N 127.5 0.2 1 17 37 21 VAL H H 8.53 0.02 1 18 37 21 VAL CA C 54.3 0.2 1 19 37 21 VAL CB C 32.7 0.2 1 20 37 21 VAL N N 118.1 0.2 1 21 38 22 THR H H 7.68 0.02 1 22 38 22 THR CA C 54.9 0.2 1 23 38 22 THR CB C 66.7 0.2 1 24 38 22 THR N N 110.1 0.2 1 25 39 23 SER H H 9.42 0.02 1 26 39 23 SER CA C 55.5 0.2 1 27 39 23 SER CB C 58.8 0.2 1 28 39 23 SER N N 117.8 0.2 1 29 40 24 GLY H H 8.79 0.02 1 30 40 24 GLY CA C 39.9 0.2 1 31 40 24 GLY N N 115.1 0.2 1 32 41 25 THR H H 7.53 0.02 1 33 41 25 THR CA C 59.9 0.2 1 34 41 25 THR CB C 65.3 0.2 1 35 41 25 THR N N 118.1 0.2 1 36 42 26 LYS H H 8.67 0.02 1 37 42 26 LYS CA C 51.7 0.2 1 38 42 26 LYS CB C 28.2 0.2 1 39 42 26 LYS N N 129.0 0.2 1 40 43 27 MET H H 8.46 0.02 1 41 43 27 MET CA C 49.1 0.2 1 42 43 27 MET CB C 32.8 0.2 1 43 43 27 MET N N 122.6 0.2 1 44 44 28 GLY H H 8.61 0.02 1 45 44 28 GLY CA C 40.4 0.2 1 46 44 28 GLY N N 108.0 0.2 1 47 46 30 ILE H H 8.58 0.02 1 48 46 30 ILE CA C 56.3 0.2 1 49 46 30 ILE N N 127.5 0.2 1 50 47 31 PHE H H 8.50 0.02 1 51 47 31 PHE CA C 51.1 0.2 1 52 47 31 PHE CB C 40.0 0.2 1 53 47 31 PHE N N 120.4 0.2 1 54 48 32 GLU H H 8.90 0.02 1 55 48 32 GLU CA C 51.1 0.2 1 56 48 32 GLU CB C 29.0 0.2 1 57 48 32 GLU N N 118.9 0.2 1 58 49 33 VAL H H 8.52 0.02 1 59 49 33 VAL CA C 58.1 0.2 1 60 49 33 VAL N N 125.1 0.2 1 61 59 43 VAL H H 8.62 0.02 1 62 59 43 VAL CA C 55.1 0.2 1 63 59 43 VAL CB C 30.5 0.2 1 64 59 43 VAL N N 122.1 0.2 1 65 60 44 GLU H H 8.29 0.02 1 66 60 44 GLU CA C 50.6 0.2 1 67 60 44 GLU CB C 29.6 0.2 1 68 60 44 GLU N N 126.3 0.2 1 69 61 45 ILE H H 8.70 0.02 1 70 61 45 ILE CA C 54.9 0.2 1 71 61 45 ILE CB C 35.8 0.2 1 72 61 45 ILE N N 126.8 0.2 1 73 62 46 THR H H 8.90 0.02 1 74 62 46 THR CA C 56.2 0.2 1 75 62 46 THR CB C 67.1 0.2 1 76 62 46 THR N N 122.5 0.2 1 77 63 47 GLY H H 8.10 0.02 1 78 63 47 GLY CA C 40.3 0.2 1 79 63 47 GLY N N 108.6 0.2 1 80 65 49 ASP H H 8.11 0.02 1 81 65 49 ASP CA C 47.6 0.2 1 82 65 49 ASP CB C 35.3 0.2 1 83 65 49 ASP N N 115.3 0.2 1 84 66 50 ASN H H 8.13 0.02 1 85 66 50 ASN CA C 49.8 0.2 1 86 66 50 ASN CB C 33.1 0.2 1 87 66 50 ASN N N 112.9 0.2 1 88 67 51 LYS H H 7.26 0.02 1 89 67 51 LYS CA C 50.9 0.2 1 90 67 51 LYS CB C 29.0 0.2 1 91 67 51 LYS N N 118.0 0.2 1 92 68 52 GLY H H 8.81 0.02 1 93 68 52 GLY CA C 42.2 0.2 1 94 68 52 GLY N N 114.2 0.2 1 95 69 53 ILE H H 8.42 0.02 1 96 69 53 ILE CA C 57.4 0.2 1 97 69 53 ILE CB C 34.9 0.2 1 98 69 53 ILE N N 126.4 0.2 1 99 70 54 TYR H H 7.09 0.02 1 100 70 54 TYR CA C 52.5 0.2 1 101 70 54 TYR CB C 38.1 0.2 1 102 70 54 TYR N N 117.2 0.2 1 103 71 55 LYS H H 7.48 0.02 1 104 71 55 LYS CA C 50.5 0.2 1 105 71 55 LYS CB C 30.5 0.2 1 106 71 55 LYS N N 130.0 0.2 1 107 77 61 SER H H 7.65 0.02 1 108 77 61 SER CA C 52.4 0.2 1 109 77 61 SER N N 113.5 0.2 1 110 78 62 GLY H H 7.14 0.02 1 111 78 62 GLY CA C 41.0 0.2 1 112 78 62 GLY N N 106.1 0.2 1 113 79 63 LYS H H 7.79 0.02 1 114 79 63 LYS CA C 50.3 0.2 1 115 79 63 LYS CB C 30.6 0.2 1 116 79 63 LYS N N 118.0 0.2 1 117 80 64 TYR H H 8.87 0.02 1 118 80 64 TYR CA C 54.0 0.2 1 119 80 64 TYR CB C 37.5 0.2 1 120 80 64 TYR N N 124.7 0.2 1 121 81 65 THR H H 7.50 0.02 1 122 81 65 THR CA C 55.0 0.2 1 123 81 65 THR CB C 66.5 0.2 1 124 81 65 THR N N 120.6 0.2 1 125 82 66 PHE H H 8.64 0.02 1 126 82 66 PHE CA C 51.1 0.2 1 127 82 66 PHE CB C 36.0 0.2 1 128 82 66 PHE N N 120.8 0.2 1 129 83 67 ALA H H 8.38 0.02 1 130 83 67 ALA CA C 44.6 0.2 1 131 83 67 ALA CB C 16.1 0.2 1 132 83 67 ALA N N 120.9 0.2 1 133 84 68 ALA H H 8.44 0.02 1 134 84 68 ALA CA C 48.5 0.2 1 135 84 68 ALA CB C 15.2 0.2 1 136 84 68 ALA N N 125.9 0.2 1 137 88 72 GLY H H 8.62 0.02 1 138 88 72 GLY CA C 39.8 0.2 1 139 88 72 GLY N N 106.0 0.2 1 140 89 73 THR H H 8.44 0.02 1 141 89 73 THR CA C 58.6 0.2 1 142 89 73 THR CB C 64.6 0.2 1 143 89 73 THR N N 117.2 0.2 1 144 90 74 TYR H H 9.51 0.02 1 145 90 74 TYR CA C 52.9 0.2 1 146 90 74 TYR CB C 36.4 0.2 1 147 90 74 TYR N N 129.6 0.2 1 148 91 75 LYS H H 8.34 0.02 1 149 91 75 LYS CA C 50.3 0.2 1 150 91 75 LYS CB C 31.2 0.2 1 151 91 75 LYS N N 123.0 0.2 1 152 92 76 PHE H H 9.08 0.02 1 153 92 76 PHE CA C 49.9 0.2 1 154 92 76 PHE CB C 36.4 0.2 1 155 92 76 PHE N N 125.0 0.2 1 156 93 77 CYS H H 8.65 0.02 1 157 93 77 CYS CA C 50.6 0.2 1 158 93 77 CYS CB C 43.5 0.2 1 159 93 77 CYS N N 118.5 0.2 1 160 94 78 PHE H H 8.75 0.02 1 161 94 78 PHE CA C 51.0 0.2 1 162 94 78 PHE CB C 37.6 0.2 1 163 94 78 PHE N N 121.4 0.2 1 164 95 79 SER H H 9.18 0.02 1 165 95 79 SER CA C 52.3 0.2 1 166 95 79 SER N N 116.0 0.2 1 167 111 95 ASP H H 9.02 0.02 1 168 111 95 ASP CA C 48.6 0.2 1 169 111 95 ASP CB C 38.4 0.2 1 170 111 95 ASP N N 129.1 0.2 1 171 112 96 ILE H H 8.33 0.02 1 172 112 96 ILE CA C 54.9 0.2 1 173 112 96 ILE CB C 34.1 0.2 1 174 112 96 ILE N N 124.0 0.2 1 175 113 97 GLY H H 8.71 0.02 1 176 113 97 GLY CA C 40.3 0.2 1 177 113 97 GLY N N 115.3 0.2 1 178 114 98 GLU H H 7.80 0.02 1 179 114 98 GLU CA C 52.9 0.2 1 180 114 98 GLU CB C 26.9 0.2 1 181 114 98 GLU N N 124.7 0.2 1 stop_ save_