data_27603 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Partial backbone assignments of Cse4 protein in 5M urea ; _BMRB_accession_number 27603 _BMRB_flat_file_name bmr27603.str _Entry_type original _Submission_date 2018-09-11 _Accession_date 2018-09-11 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Cse4 protein in 5M urea buffer (Partially denatured protein)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kumar Ashutosh . . 2 Malik Nikita . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 65 "13C chemical shifts" 4 "15N chemical shifts" 65 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-01-09 original BMRB . stop_ _Original_release_date 2018-09-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conformational flexibility of histone variant CENP-A ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30381395 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Malik Nikita . . 2 Dantu 'Sarath Chandra' C. . 3 Shukla Shivangi . . 4 Kombrabail Mamta . . 5 Ghosh 'Santanu Kumar' K. . 6 Krishnamoorthy Guruswamy . . 7 Kumar Ashutosh . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 293 _Journal_issue 52 _Journal_ISSN 1083-351X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 20273 _Page_last 20284 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Cse4 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Cse4 $Cse4 stop_ _System_molecular_weight . _System_physical_state 'partially disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Centromeric protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Cse4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Cse4 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Centromeric Protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 229 _Mol_residue_sequence ; MSSKQQWVSSAIQSDSSGRS LSNVNRLAGDQQSINDRALS LLQRTRATKNLFPRREERRR YESSKSDLDIETDYEDQAGN LEIETENEEEAEMETEVPAP VRTHSYALDRYVRQKRREKQ RKQSLKRVEKKYTPSELALY EIRKYQRSTDLLISKIPFAR LVKEVTDEFTTKDQDLRWQS MAIMALQEASEAYLVGLLEH TNLLALHAKRITIMKKDMQL ARRIRGQFI ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 SER 4 LYS 5 GLN 6 GLN 7 TRP 8 VAL 9 SER 10 SER 11 ALA 12 ILE 13 GLN 14 SER 15 ASP 16 SER 17 SER 18 GLY 19 ARG 20 SER 21 LEU 22 SER 23 ASN 24 VAL 25 ASN 26 ARG 27 LEU 28 ALA 29 GLY 30 ASP 31 GLN 32 GLN 33 SER 34 ILE 35 ASN 36 ASP 37 ARG 38 ALA 39 LEU 40 SER 41 LEU 42 LEU 43 GLN 44 ARG 45 THR 46 ARG 47 ALA 48 THR 49 LYS 50 ASN 51 LEU 52 PHE 53 PRO 54 ARG 55 ARG 56 GLU 57 GLU 58 ARG 59 ARG 60 ARG 61 TYR 62 GLU 63 SER 64 SER 65 LYS 66 SER 67 ASP 68 LEU 69 ASP 70 ILE 71 GLU 72 THR 73 ASP 74 TYR 75 GLU 76 ASP 77 GLN 78 ALA 79 GLY 80 ASN 81 LEU 82 GLU 83 ILE 84 GLU 85 THR 86 GLU 87 ASN 88 GLU 89 GLU 90 GLU 91 ALA 92 GLU 93 MET 94 GLU 95 THR 96 GLU 97 VAL 98 PRO 99 ALA 100 PRO 101 VAL 102 ARG 103 THR 104 HIS 105 SER 106 TYR 107 ALA 108 LEU 109 ASP 110 ARG 111 TYR 112 VAL 113 ARG 114 GLN 115 LYS 116 ARG 117 ARG 118 GLU 119 LYS 120 GLN 121 ARG 122 LYS 123 GLN 124 SER 125 LEU 126 LYS 127 ARG 128 VAL 129 GLU 130 LYS 131 LYS 132 TYR 133 THR 134 PRO 135 SER 136 GLU 137 LEU 138 ALA 139 LEU 140 TYR 141 GLU 142 ILE 143 ARG 144 LYS 145 TYR 146 GLN 147 ARG 148 SER 149 THR 150 ASP 151 LEU 152 LEU 153 ILE 154 SER 155 LYS 156 ILE 157 PRO 158 PHE 159 ALA 160 ARG 161 LEU 162 VAL 163 LYS 164 GLU 165 VAL 166 THR 167 ASP 168 GLU 169 PHE 170 THR 171 THR 172 LYS 173 ASP 174 GLN 175 ASP 176 LEU 177 ARG 178 TRP 179 GLN 180 SER 181 MET 182 ALA 183 ILE 184 MET 185 ALA 186 LEU 187 GLN 188 GLU 189 ALA 190 SER 191 GLU 192 ALA 193 TYR 194 LEU 195 VAL 196 GLY 197 LEU 198 LEU 199 GLU 200 HIS 201 THR 202 ASN 203 LEU 204 LEU 205 ALA 206 LEU 207 HIS 208 ALA 209 LYS 210 ARG 211 ILE 212 THR 213 ILE 214 MET 215 LYS 216 LYS 217 ASP 218 MET 219 GLN 220 LEU 221 ALA 222 ARG 223 ARG 224 ILE 225 ARG 226 GLY 227 GLN 228 PHE 229 ILE 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 $Cse4 "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $Cse4 'recombinant technology' . Escherichia coli . pKS387 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 $Cse4 700 uM '[U-99% 13C; U-99% 15N]' urea 5 M 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . 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 750 _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_HCACO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _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' 200 . 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_ _Experiment_label '2D 1H-15N HSQC' '3D HCACO' '3D HNCA' '3D HNCO' '3D HN(CO)CA' '3D 1H-15N TOCSY' 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 Cse4 _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 8 8 VAL H H 7.958 0.000 1 2 8 8 VAL N N 122.189 0.000 1 3 9 9 SER H H 8.263 0.000 1 4 9 9 SER N N 119.180 0.000 1 5 10 10 SER H H 8.330 0.000 1 6 10 10 SER N N 118.055 0.001 1 7 11 11 ALA H H 8.258 0.000 1 8 11 11 ALA N N 125.757 0.002 1 9 12 12 ILE H H 8.026 0.000 1 10 12 12 ILE N N 119.786 0.000 1 11 13 13 GLN H H 8.446 0.000 1 12 13 13 GLN N N 124.634 0.000 1 13 14 14 SER H H 8.380 0.000 1 14 14 14 SER N N 117.417 0.000 1 15 15 15 ASP H H 8.463 0.000 1 16 15 15 ASP N N 122.417 0.001 1 17 16 16 SER H H 8.426 0.000 1 18 16 16 SER N N 116.657 0.000 1 19 17 17 SER H H 8.424 0.000 1 20 17 17 SER N N 117.901 0.002 1 21 18 18 GLY H H 8.351 0.002 1 22 18 18 GLY CA C 45.539 0.000 1 23 18 18 GLY N N 110.426 0.009 1 24 19 19 ARG H H 8.102 0.000 1 25 19 19 ARG N N 120.464 0.000 1 26 20 20 SER H H 8.428 0.000 1 27 20 20 SER N N 117.065 0.000 1 28 21 21 LEU H H 8.377 0.001 1 29 21 21 LEU N N 124.496 0.001 1 30 22 22 SER H H 8.292 0.000 1 31 22 22 SER N N 115.825 0.000 1 32 23 23 ASN H H 8.471 0.000 1 33 23 23 ASN N N 120.987 0.001 1 34 24 24 VAL H H 8.000 0.000 1 35 24 24 VAL N N 119.426 0.000 1 36 25 25 ASN H H 8.473 0.000 1 37 25 25 ASN N N 121.878 0.000 1 38 26 26 ARG H H 8.286 0.000 1 39 26 26 ARG N N 121.973 0.000 1 40 27 27 LEU H H 8.303 0.000 1 41 27 27 LEU N N 123.075 0.000 1 42 28 28 ALA H H 8.245 0.000 1 43 28 28 ALA N N 124.523 0.000 1 44 29 29 GLY H H 8.298 0.002 1 45 29 29 GLY CA C 45.411 0.000 1 46 29 29 GLY N N 107.877 0.011 1 47 30 30 ASP H H 8.242 0.000 1 48 30 30 ASP N N 120.241 0.000 1 49 31 31 GLN H H 8.386 0.000 1 50 31 31 GLN N N 120.308 0.000 1 51 32 32 GLN H H 8.419 0.000 1 52 32 32 GLN N N 120.669 0.000 1 53 33 33 SER H H 8.389 0.000 1 54 33 33 SER N N 117.017 0.000 1 55 34 34 ILE H H 8.176 0.000 1 56 34 34 ILE N N 122.218 0.000 1 57 35 35 ASN H H 8.385 0.000 1 58 35 35 ASN N N 121.698 0.000 1 59 36 36 ASP H H 8.255 0.000 1 60 36 36 ASP N N 121.207 0.000 1 61 37 37 ARG H H 8.216 0.000 1 62 37 37 ARG N N 121.199 0.000 1 63 38 38 ALA H H 8.197 0.000 1 64 38 38 ALA N N 123.729 0.000 1 65 39 39 LEU H H 8.082 0.000 1 66 39 39 LEU N N 120.503 0.000 1 67 40 40 SER H H 8.233 0.000 1 68 40 40 SER N N 116.059 0.000 1 69 41 41 LEU H H 8.146 0.000 1 70 41 41 LEU N N 123.459 0.000 1 71 42 42 LEU H H 8.051 0.000 1 72 42 42 LEU N N 121.640 0.000 1 73 48 48 THR H H 8.118 0.001 1 74 48 48 THR CA C 61.901 0.000 1 75 48 48 THR N N 113.282 0.006 1 76 70 70 ILE H H 7.897 0.000 1 77 70 70 ILE N N 119.922 0.000 1 78 71 71 GLU H H 8.473 0.000 1 79 71 71 GLU N N 124.481 0.000 1 80 72 72 THR H H 8.134 0.000 1 81 72 72 THR N N 115.375 0.000 1 82 73 73 ASP H H 8.363 0.000 1 83 73 73 ASP N N 122.833 0.000 1 84 74 74 TYR H H 8.133 0.000 1 85 74 74 TYR N N 120.839 0.000 1 86 75 75 GLU H H 8.321 0.000 1 87 75 75 GLU N N 122.382 0.000 1 88 76 76 ASP H H 8.310 0.000 1 89 76 76 ASP N N 121.721 0.000 1 90 77 77 GLN H H 8.336 0.000 1 91 77 77 GLN N N 120.902 0.000 1 92 78 78 ALA H H 8.317 0.000 1 93 78 78 ALA N N 124.597 0.000 1 94 79 79 GLY H H 8.294 0.002 1 95 79 79 GLY CA C 45.368 0.000 1 96 79 79 GLY N N 107.522 0.011 1 97 80 80 ASN H H 8.276 0.000 1 98 80 80 ASN N N 118.616 0.000 1 99 93 93 MET H H 8.387 0.000 1 100 93 93 MET N N 121.454 0.000 1 101 94 94 GLU H H 8.566 0.000 1 102 94 94 GLU N N 122.691 0.000 1 103 95 95 THR H H 8.177 0.000 1 104 95 95 THR N N 115.001 0.000 1 105 111 111 TYR H H 8.187 0.000 1 106 111 111 TYR N N 120.540 0.000 1 107 112 112 VAL H H 7.971 0.000 1 108 112 112 VAL N N 122.325 0.000 1 109 148 148 SER H H 8.523 0.000 1 110 148 148 SER N N 117.408 0.000 1 111 149 149 THR H H 8.155 0.000 1 112 149 149 THR N N 114.840 0.000 1 113 166 166 THR H H 8.239 0.000 1 114 166 166 THR N N 117.537 0.000 1 115 170 170 THR H H 8.101 0.000 1 116 170 170 THR N N 115.846 0.000 1 117 171 171 THR H H 8.196 0.000 1 118 171 171 THR N N 116.116 0.000 1 119 190 190 SER H H 8.280 0.000 1 120 190 190 SER N N 115.135 0.000 1 121 193 193 TYR H H 7.983 0.000 1 122 193 193 TYR N N 118.693 0.000 1 123 196 196 GLY H H 8.460 0.000 1 124 196 196 GLY N N 112.441 0.000 1 125 197 197 LEU H H 7.955 0.000 1 126 197 197 LEU N N 121.426 0.000 1 127 226 226 GLY H H 8.444 0.000 1 128 226 226 GLY N N 110.181 0.000 1 129 227 227 GLN H H 8.139 0.000 1 130 227 227 GLN N N 119.620 0.000 1 131 228 228 PHE H H 8.334 0.000 1 132 228 228 PHE N N 121.546 0.000 1 133 229 229 ILE H H 7.733 0.000 1 134 229 229 ILE N N 126.214 0.000 1 stop_ save_