data_30576 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of Asf1-H3:H4-Rtt109-Vps75 histone chaperone-lysine acetyltransferase complex with the histone substrate. ; _BMRB_accession_number 30576 _BMRB_flat_file_name bmr30576.str _Entry_type original _Submission_date 2019-02-22 _Accession_date 2019-02-22 _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 Danilenko N. . . 2 Carlomagno T. . . 3 Kirkpatrick J. P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 92 "13C chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-07-26 original BMRB . stop_ _Original_release_date 2019-04-09 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of Asf1-H3:H4-Rtt109-Vps75 histone chaperone-lysine acetyltransferase complex with the histone substrate. ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Danilenko N. . . 2 Carlomagno T. . . 3 Kirkpatrick J. P. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Asf1-H3:H4-Rtt109-Vps75 histone chaperone-lysine acetyltransferase complex with the histone substrate' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'entity_1, 1' $entity_1 'entity_1, 2' $entity_1 entity_2 $entity_2 entity_3 $entity_3 entity_4 $entity_4 entity_5 $entity_5 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details ; Vacuolar protein sorting-associated protein 75, Histone acetyltransferase RTT109 (E.C.2.3.1.48), Histone chaperone ASF1, Histone H3.2, Histone H4. ; save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 30656.084 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 264 _Mol_residue_sequence ; MMSDQENENEHAKAFLGLAK CEEEVDAIEREVELYRLNKM KPVYEKRDAYIDEIAEFWKI VLSQHVSFANYIRASDFKYI DTIDKIKVEWLALESEMYDT RDFSITFHFHGIEGDFKEQQ VTKVFQIKKGKDDQEDGILT SEPVPIEWPQSYDSINPDLI KDKRSPEGKKKYRQGMKTIF GWFRWTGLKPGKEFPHGDSL ASLFSEEIYPFCVKYYAEAQ RDLEDEEGESGLSADGDSED DDGSLGEVDLPLSDEEPSSK KRKV ; loop_ _Residue_seq_code _Residue_label 1 MET 2 MET 3 SER 4 ASP 5 GLN 6 GLU 7 ASN 8 GLU 9 ASN 10 GLU 11 HIS 12 ALA 13 LYS 14 ALA 15 PHE 16 LEU 17 GLY 18 LEU 19 ALA 20 LYS 21 CYS 22 GLU 23 GLU 24 GLU 25 VAL 26 ASP 27 ALA 28 ILE 29 GLU 30 ARG 31 GLU 32 VAL 33 GLU 34 LEU 35 TYR 36 ARG 37 LEU 38 ASN 39 LYS 40 MET 41 LYS 42 PRO 43 VAL 44 TYR 45 GLU 46 LYS 47 ARG 48 ASP 49 ALA 50 TYR 51 ILE 52 ASP 53 GLU 54 ILE 55 ALA 56 GLU 57 PHE 58 TRP 59 LYS 60 ILE 61 VAL 62 LEU 63 SER 64 GLN 65 HIS 66 VAL 67 SER 68 PHE 69 ALA 70 ASN 71 TYR 72 ILE 73 ARG 74 ALA 75 SER 76 ASP 77 PHE 78 LYS 79 TYR 80 ILE 81 ASP 82 THR 83 ILE 84 ASP 85 LYS 86 ILE 87 LYS 88 VAL 89 GLU 90 TRP 91 LEU 92 ALA 93 LEU 94 GLU 95 SER 96 GLU 97 MET 98 TYR 99 ASP 100 THR 101 ARG 102 ASP 103 PHE 104 SER 105 ILE 106 THR 107 PHE 108 HIS 109 PHE 110 HIS 111 GLY 112 ILE 113 GLU 114 GLY 115 ASP 116 PHE 117 LYS 118 GLU 119 GLN 120 GLN 121 VAL 122 THR 123 LYS 124 VAL 125 PHE 126 GLN 127 ILE 128 LYS 129 LYS 130 GLY 131 LYS 132 ASP 133 ASP 134 GLN 135 GLU 136 ASP 137 GLY 138 ILE 139 LEU 140 THR 141 SER 142 GLU 143 PRO 144 VAL 145 PRO 146 ILE 147 GLU 148 TRP 149 PRO 150 GLN 151 SER 152 TYR 153 ASP 154 SER 155 ILE 156 ASN 157 PRO 158 ASP 159 LEU 160 ILE 161 LYS 162 ASP 163 LYS 164 ARG 165 SER 166 PRO 167 GLU 168 GLY 169 LYS 170 LYS 171 LYS 172 TYR 173 ARG 174 GLN 175 GLY 176 MET 177 LYS 178 THR 179 ILE 180 PHE 181 GLY 182 TRP 183 PHE 184 ARG 185 TRP 186 THR 187 GLY 188 LEU 189 LYS 190 PRO 191 GLY 192 LYS 193 GLU 194 PHE 195 PRO 196 HIS 197 GLY 198 ASP 199 SER 200 LEU 201 ALA 202 SER 203 LEU 204 PHE 205 SER 206 GLU 207 GLU 208 ILE 209 TYR 210 PRO 211 PHE 212 CYS 213 VAL 214 LYS 215 TYR 216 TYR 217 ALA 218 GLU 219 ALA 220 GLN 221 ARG 222 ASP 223 LEU 224 GLU 225 ASP 226 GLU 227 GLU 228 GLY 229 GLU 230 SER 231 GLY 232 LEU 233 SER 234 ALA 235 ASP 236 GLY 237 ASP 238 SER 239 GLU 240 ASP 241 ASP 242 ASP 243 GLY 244 SER 245 LEU 246 GLY 247 GLU 248 VAL 249 ASP 250 LEU 251 PRO 252 LEU 253 SER 254 ASP 255 GLU 256 GLU 257 PRO 258 SER 259 SER 260 LYS 261 LYS 262 ARG 263 LYS 264 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 50765.434 _Mol_thiol_state . _Details . _Residue_count 442 _Mol_residue_sequence ; GMDPNSMSLNDFLSSVLPVS EQFEYLSLQSIPLETHAVVT PNKDDKRVPKSTIKTQHFFS LFHQGKVFFSLEVYVYVTLW DEADAERLIFVSKADTNGYC NTRVSVRDITKIILEFILSI DPNYYLQKVKPAIRSYKKIS PELISAASTPARTLRILARR LKQSGSTVLKEIESPRFQQD LYLSFTCPREILTKICLFTR PASQYLFPDSSKNSKKHILN GEELMKWWGFILDRLLIECF QNDTQAKLRIPGEDPARVRS YLRGMKYPLWQVGDIFTSKE NSLAVYNIPLFPDDPKARFI HQLAEEDRLLKVSLSSFWIE LQERQEFKLSVTSSVMGISG YSLATPSLFPSSADVIVPKS RKQFRAIKKYITGEEYDTEE GAIEAFTNIRDFLLLRMATN LQSLTGKREHRERNQPVPAS NINTLAITMLKPRKKAKALP KT ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 MET 3 ASP 4 PRO 5 ASN 6 SER 7 MET 8 SER 9 LEU 10 ASN 11 ASP 12 PHE 13 LEU 14 SER 15 SER 16 VAL 17 LEU 18 PRO 19 VAL 20 SER 21 GLU 22 GLN 23 PHE 24 GLU 25 TYR 26 LEU 27 SER 28 LEU 29 GLN 30 SER 31 ILE 32 PRO 33 LEU 34 GLU 35 THR 36 HIS 37 ALA 38 VAL 39 VAL 40 THR 41 PRO 42 ASN 43 LYS 44 ASP 45 ASP 46 LYS 47 ARG 48 VAL 49 PRO 50 LYS 51 SER 52 THR 53 ILE 54 LYS 55 THR 56 GLN 57 HIS 58 PHE 59 PHE 60 SER 61 LEU 62 PHE 63 HIS 64 GLN 65 GLY 66 LYS 67 VAL 68 PHE 69 PHE 70 SER 71 LEU 72 GLU 73 VAL 74 TYR 75 VAL 76 TYR 77 VAL 78 THR 79 LEU 80 TRP 81 ASP 82 GLU 83 ALA 84 ASP 85 ALA 86 GLU 87 ARG 88 LEU 89 ILE 90 PHE 91 VAL 92 SER 93 LYS 94 ALA 95 ASP 96 THR 97 ASN 98 GLY 99 TYR 100 CYS 101 ASN 102 THR 103 ARG 104 VAL 105 SER 106 VAL 107 ARG 108 ASP 109 ILE 110 THR 111 LYS 112 ILE 113 ILE 114 LEU 115 GLU 116 PHE 117 ILE 118 LEU 119 SER 120 ILE 121 ASP 122 PRO 123 ASN 124 TYR 125 TYR 126 LEU 127 GLN 128 LYS 129 VAL 130 LYS 131 PRO 132 ALA 133 ILE 134 ARG 135 SER 136 TYR 137 LYS 138 LYS 139 ILE 140 SER 141 PRO 142 GLU 143 LEU 144 ILE 145 SER 146 ALA 147 ALA 148 SER 149 THR 150 PRO 151 ALA 152 ARG 153 THR 154 LEU 155 ARG 156 ILE 157 LEU 158 ALA 159 ARG 160 ARG 161 LEU 162 LYS 163 GLN 164 SER 165 GLY 166 SER 167 THR 168 VAL 169 LEU 170 LYS 171 GLU 172 ILE 173 GLU 174 SER 175 PRO 176 ARG 177 PHE 178 GLN 179 GLN 180 ASP 181 LEU 182 TYR 183 LEU 184 SER 185 PHE 186 THR 187 CYS 188 PRO 189 ARG 190 GLU 191 ILE 192 LEU 193 THR 194 LYS 195 ILE 196 CYS 197 LEU 198 PHE 199 THR 200 ARG 201 PRO 202 ALA 203 SER 204 GLN 205 TYR 206 LEU 207 PHE 208 PRO 209 ASP 210 SER 211 SER 212 LYS 213 ASN 214 SER 215 LYS 216 LYS 217 HIS 218 ILE 219 LEU 220 ASN 221 GLY 222 GLU 223 GLU 224 LEU 225 MET 226 LYS 227 TRP 228 TRP 229 GLY 230 PHE 231 ILE 232 LEU 233 ASP 234 ARG 235 LEU 236 LEU 237 ILE 238 GLU 239 CYS 240 PHE 241 GLN 242 ASN 243 ASP 244 THR 245 GLN 246 ALA 247 LYS 248 LEU 249 ARG 250 ILE 251 PRO 252 GLY 253 GLU 254 ASP 255 PRO 256 ALA 257 ARG 258 VAL 259 ARG 260 SER 261 TYR 262 LEU 263 ARG 264 GLY 265 MET 266 LYS 267 TYR 268 PRO 269 LEU 270 TRP 271 GLN 272 VAL 273 GLY 274 ASP 275 ILE 276 PHE 277 THR 278 SER 279 LYS 280 GLU 281 ASN 282 SER 283 LEU 284 ALA 285 VAL 286 TYR 287 ASN 288 ILE 289 PRO 290 LEU 291 PHE 292 PRO 293 ASP 294 ASP 295 PRO 296 LYS 297 ALA 298 ARG 299 PHE 300 ILE 301 HIS 302 GLN 303 LEU 304 ALA 305 GLU 306 GLU 307 ASP 308 ARG 309 LEU 310 LEU 311 LYS 312 VAL 313 SER 314 LEU 315 SER 316 SER 317 PHE 318 TRP 319 ILE 320 GLU 321 LEU 322 GLN 323 GLU 324 ARG 325 GLN 326 GLU 327 PHE 328 LYS 329 LEU 330 SER 331 VAL 332 THR 333 SER 334 SER 335 VAL 336 MET 337 GLY 338 ILE 339 SER 340 GLY 341 TYR 342 SER 343 LEU 344 ALA 345 THR 346 PRO 347 SER 348 LEU 349 PHE 350 PRO 351 SER 352 SER 353 ALA 354 ASP 355 VAL 356 ILE 357 VAL 358 PRO 359 LYS 360 SER 361 ARG 362 LYS 363 GLN 364 PHE 365 ARG 366 ALA 367 ILE 368 LYS 369 LYS 370 TYR 371 ILE 372 THR 373 GLY 374 GLU 375 GLU 376 TYR 377 ASP 378 THR 379 GLU 380 GLU 381 GLY 382 ALA 383 ILE 384 GLU 385 ALA 386 PHE 387 THR 388 ASN 389 ILE 390 ARG 391 ASP 392 PHE 393 LEU 394 LEU 395 LEU 396 ARG 397 MET 398 ALA 399 THR 400 ASN 401 LEU 402 GLN 403 SER 404 LEU 405 THR 406 GLY 407 LYS 408 ARG 409 GLU 410 HIS 411 ARG 412 GLU 413 ARG 414 ASN 415 GLN 416 PRO 417 VAL 418 PRO 419 ALA 420 SER 421 ASN 422 ILE 423 ASN 424 THR 425 LEU 426 ALA 427 ILE 428 THR 429 MET 430 LEU 431 LYS 432 PRO 433 ARG 434 LYS 435 LYS 436 ALA 437 LYS 438 ALA 439 LEU 440 PRO 441 LYS 442 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_3 _Molecular_mass 31585.139 _Mol_thiol_state . _Details . _Residue_count 279 _Mol_residue_sequence ; SSIVSLLGIKVLNNPAKFTD PYEFEITFECLESLKHDLEW KLTYVGSSRSLDHDQELDSI LVGPVPVGVNKFVFSADPPS AELIPASELVSVTVILLSCS YDGREFVRVGYYVNNEYDEE ELRENPPAKVQVDHIVRNIL AEKPRVTRFNIVWDNENEGD LYPPEQPGVDDEEEEDDEEE DDDEDDEDDEDDDQEDGEGE AEEAAEEEEEEEEKTEDNET NLEEEEEDIENSDGDEEEGE EEVGSVDKNEDGNDKKRRKI EGGSTDIESTPKDAARSTN ; loop_ _Residue_seq_code _Residue_label 1 SER 2 SER 3 ILE 4 VAL 5 SER 6 LEU 7 LEU 8 GLY 9 ILE 10 LYS 11 VAL 12 LEU 13 ASN 14 ASN 15 PRO 16 ALA 17 LYS 18 PHE 19 THR 20 ASP 21 PRO 22 TYR 23 GLU 24 PHE 25 GLU 26 ILE 27 THR 28 PHE 29 GLU 30 CYS 31 LEU 32 GLU 33 SER 34 LEU 35 LYS 36 HIS 37 ASP 38 LEU 39 GLU 40 TRP 41 LYS 42 LEU 43 THR 44 TYR 45 VAL 46 GLY 47 SER 48 SER 49 ARG 50 SER 51 LEU 52 ASP 53 HIS 54 ASP 55 GLN 56 GLU 57 LEU 58 ASP 59 SER 60 ILE 61 LEU 62 VAL 63 GLY 64 PRO 65 VAL 66 PRO 67 VAL 68 GLY 69 VAL 70 ASN 71 LYS 72 PHE 73 VAL 74 PHE 75 SER 76 ALA 77 ASP 78 PRO 79 PRO 80 SER 81 ALA 82 GLU 83 LEU 84 ILE 85 PRO 86 ALA 87 SER 88 GLU 89 LEU 90 VAL 91 SER 92 VAL 93 THR 94 VAL 95 ILE 96 LEU 97 LEU 98 SER 99 CYS 100 SER 101 TYR 102 ASP 103 GLY 104 ARG 105 GLU 106 PHE 107 VAL 108 ARG 109 VAL 110 GLY 111 TYR 112 TYR 113 VAL 114 ASN 115 ASN 116 GLU 117 TYR 118 ASP 119 GLU 120 GLU 121 GLU 122 LEU 123 ARG 124 GLU 125 ASN 126 PRO 127 PRO 128 ALA 129 LYS 130 VAL 131 GLN 132 VAL 133 ASP 134 HIS 135 ILE 136 VAL 137 ARG 138 ASN 139 ILE 140 LEU 141 ALA 142 GLU 143 LYS 144 PRO 145 ARG 146 VAL 147 THR 148 ARG 149 PHE 150 ASN 151 ILE 152 VAL 153 TRP 154 ASP 155 ASN 156 GLU 157 ASN 158 GLU 159 GLY 160 ASP 161 LEU 162 TYR 163 PRO 164 PRO 165 GLU 166 GLN 167 PRO 168 GLY 169 VAL 170 ASP 171 ASP 172 GLU 173 GLU 174 GLU 175 GLU 176 ASP 177 ASP 178 GLU 179 GLU 180 GLU 181 ASP 182 ASP 183 ASP 184 GLU 185 ASP 186 ASP 187 GLU 188 ASP 189 ASP 190 GLU 191 ASP 192 ASP 193 ASP 194 GLN 195 GLU 196 ASP 197 GLY 198 GLU 199 GLY 200 GLU 201 ALA 202 GLU 203 GLU 204 ALA 205 ALA 206 GLU 207 GLU 208 GLU 209 GLU 210 GLU 211 GLU 212 GLU 213 GLU 214 LYS 215 THR 216 GLU 217 ASP 218 ASN 219 GLU 220 THR 221 ASN 222 LEU 223 GLU 224 GLU 225 GLU 226 GLU 227 GLU 228 ASP 229 ILE 230 GLU 231 ASN 232 SER 233 ASP 234 GLY 235 ASP 236 GLU 237 GLU 238 GLU 239 GLY 240 GLU 241 GLU 242 GLU 243 VAL 244 GLY 245 SER 246 VAL 247 ASP 248 LYS 249 ASN 250 GLU 251 ASP 252 GLY 253 ASN 254 ASP 255 LYS 256 LYS 257 ARG 258 ARG 259 LYS 260 ILE 261 GLU 262 GLY 263 GLY 264 SER 265 THR 266 ASP 267 ILE 268 GLU 269 SER 270 THR 271 PRO 272 LYS 273 ASP 274 ALA 275 ALA 276 ARG 277 SER 278 THR 279 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_4 _Molecular_mass 15421.101 _Mol_thiol_state . _Details . _Residue_count 136 _Mol_residue_sequence ; MARTKQTARKSTGGKAPRKQ LATKAARKSAPATGGVKKPH RYRPGTVALREIRRYQKSTE LLIRKLPFQRLVREIAQDFK TDLRFQSSAVMALQEASEAY LVGLFEDTNLCAIHAKRVTI MPKDIQLARRIRGERA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ARG 4 THR 5 LYS 6 GLN 7 THR 8 ALA 9 ARG 10 LYS 11 SER 12 THR 13 GLY 14 GLY 15 LYS 16 ALA 17 PRO 18 ARG 19 LYS 20 GLN 21 LEU 22 ALA 23 THR 24 LYS 25 ALA 26 ALA 27 ARG 28 LYS 29 SER 30 ALA 31 PRO 32 ALA 33 THR 34 GLY 35 GLY 36 VAL 37 LYS 38 LYS 39 PRO 40 HIS 41 ARG 42 TYR 43 ARG 44 PRO 45 GLY 46 THR 47 VAL 48 ALA 49 LEU 50 ARG 51 GLU 52 ILE 53 ARG 54 ARG 55 TYR 56 GLN 57 LYS 58 SER 59 THR 60 GLU 61 LEU 62 LEU 63 ILE 64 ARG 65 LYS 66 LEU 67 PRO 68 PHE 69 GLN 70 ARG 71 LEU 72 VAL 73 ARG 74 GLU 75 ILE 76 ALA 77 GLN 78 ASP 79 PHE 80 LYS 81 THR 82 ASP 83 LEU 84 ARG 85 PHE 86 GLN 87 SER 88 SER 89 ALA 90 VAL 91 MET 92 ALA 93 LEU 94 GLN 95 GLU 96 ALA 97 SER 98 GLU 99 ALA 100 TYR 101 LEU 102 VAL 103 GLY 104 LEU 105 PHE 106 GLU 107 ASP 108 THR 109 ASN 110 LEU 111 CYS 112 ALA 113 ILE 114 HIS 115 ALA 116 LYS 117 ARG 118 VAL 119 THR 120 ILE 121 MET 122 PRO 123 LYS 124 ASP 125 ILE 126 GLN 127 LEU 128 ALA 129 ARG 130 ARG 131 ILE 132 ARG 133 GLY 134 GLU 135 ARG 136 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_5 _Molecular_mass 11394.426 _Mol_thiol_state . _Details . _Residue_count 103 _Mol_residue_sequence ; MSGRGKGGKGLGKGGAKRHR KVLRDNIQGITKPAIRRLAR RGGVKRISGLIYEETRGVLK VFLENVIRDAVTYTEHAKRK TVTAMDVVYALKRQGRTLYG FGG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 GLY 4 ARG 5 GLY 6 LYS 7 GLY 8 GLY 9 LYS 10 GLY 11 LEU 12 GLY 13 LYS 14 GLY 15 GLY 16 ALA 17 LYS 18 ARG 19 HIS 20 ARG 21 LYS 22 VAL 23 LEU 24 ARG 25 ASP 26 ASN 27 ILE 28 GLN 29 GLY 30 ILE 31 THR 32 LYS 33 PRO 34 ALA 35 ILE 36 ARG 37 ARG 38 LEU 39 ALA 40 ARG 41 ARG 42 GLY 43 GLY 44 VAL 45 LYS 46 ARG 47 ILE 48 SER 49 GLY 50 LEU 51 ILE 52 TYR 53 GLU 54 GLU 55 THR 56 ARG 57 GLY 58 VAL 59 LEU 60 LYS 61 VAL 62 PHE 63 LEU 64 GLU 65 ASN 66 VAL 67 ILE 68 ARG 69 ASP 70 ALA 71 VAL 72 THR 73 TYR 74 THR 75 GLU 76 HIS 77 ALA 78 LYS 79 ARG 80 LYS 81 THR 82 VAL 83 THR 84 ALA 85 MET 86 ASP 87 VAL 88 VAL 89 TYR 90 ALA 91 LEU 92 LYS 93 ARG 94 GLN 95 GLY 96 ARG 97 THR 98 LEU 99 TYR 100 GLY 101 PHE 102 GLY 103 GLY 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 _Strain _Gene_mnemonic $entity_1 "baker's yeast" 559292 Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' 'VPS75, YNL246W, N0890' $entity_2 "baker's yeast" 559292 Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' 'RTT109, KIM2, REM50, YLL002W, L1377' $entity_3 "baker's yeast" 559292 Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' 'ASF1, CIA1, YJL115W, J0755' $entity_4 'African clawed frog' 8355 Eukaryota Metazoa Xenopus laevis . . $entity_5 'African clawed frog' 8355 Eukaryota Metazoa Xenopus laevis . . 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 $entity_1 'recombinant technology' . Escherichia coli . . $entity_2 'recombinant technology' . Escherichia coli . . $entity_3 'recombinant technology' . Escherichia coli . . $entity_4 'recombinant technology' . Escherichia coli . . $entity_5 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '70 uM ILV methyl labelled, perdeuterated Vps75 (dimer), 70 uM Rtt109, 70 uM Asf1, 70 uM H3, 70 uM H4, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 70 uM 'ILV methyl labelled, perdeuterated' $entity_2 70 uM 'natural abundance' $entity_3 70 uM 'natural abundance' $entity_4 70 uM 'natural abundance' $entity_5 70 uM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 70 uM ILV methyl labelled, perdeuterated Vps75 (dimer), 70 uM Rtt109, 70 uM Asf1, 70 uM H3(110A,63C) mutant with a cysteine coupled to a paramagnetic tag, 70 uM H4, 100% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 70 uM 'ILV methyl labelled, perdeuterated' $entity_2 70 uM 'natural abundance' $entity_3 70 uM 'natural abundance' $entity_4 70 uM 'natural abundance' $entity_5 70 uM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; 90 uM ILV methyl labelled, perdeuterated Vps75 (dimer), 90 uM Rtt109, 90 uM Asf1, 90 uM H3(110A,76C) mutant with a cysteine coupled to a paramagnetic tag, 90 uM H4, 100% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 90 uM 'ILV methyl labelled, perdeuterated' $entity_2 90 uM 'natural abundance' $entity_3 90 uM 'natural abundance' $entity_4 90 uM 'natural abundance' $entity_5 90 uM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details ; 30 uM ILV methyl labelled, perdeuterated Vps75 (dimer), 30 uM Rtt109, 30 uM Asf1, 30 uM H3, 30 uM H4(30C) mutant with a cysteine coupled to a paramagnetic tag, 100% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 30 uM 'ILV methyl labelled, perdeuterated' $entity_2 30 uM 'natural abundance' $entity_3 30 uM 'natural abundance' $entity_4 30 uM 'natural abundance' $entity_5 30 uM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details ; 70 uM ILV methyl labelled, perdeuterated Vps75 (dimer), 70 uM Rtt109, 70 uM Asf1, 70 uM H3, 70 uM H4(82C) mutant with a cysteine coupled to a paramagnetic tag, 100% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 70 uM 'ILV methyl labelled, perdeuterated' $entity_2 70 uM 'natural abundance' $entity_3 70 uM 'natural abundance' $entity_4 70 uM 'natural abundance' $entity_5 70 uM 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details ; 80 uM ILV methyl labelled, perdeuterated Vps75 (dimer), 80 uM Rtt109, 80 uM Asf1, 80 uM H3, 80 uM H4(45C) mutant with a cysteine coupled to a paramagnetic tag, 100% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 80 uM 'ILV methyl labelled, perdeuterated' $entity_2 80 uM 'natural abundance' $entity_3 80 uM 'natural abundance' $entity_4 80 uM 'natural abundance' $entity_5 80 uM 'natural abundance' stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details ; 30 uM ILV methyl labelled, perdeuterated Vps75 (dimer), 30 uM Rtt109, 30 uM Asf1, 30 uM H3, 30 uM H4(93C) mutant with a cysteine coupled to a paramagnetic tag, 100% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 30 uM 'ILV methyl labelled, perdeuterated' $entity_2 30 uM 'natural abundance' $entity_3 30 uM 'natural abundance' $entity_4 30 uM 'natural abundance' $entity_5 30 uM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name HADDOCK _Version . loop_ _Vendor _Address _Electronic_address Bonvin . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_5 _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_6 _Saveframe_category software _Name FuDA _Version . loop_ _Vendor _Address _Electronic_address 'D. Flemming Hansen' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-13C_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_5 save_ save_2D_1H-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_6 save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_7 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_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 water C 13 protons ppm 4.78 internal indirect . . . 0.25144953 water H 1 protons ppm 4.78 internal direct . . . 1.0 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_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 $sample_6 $sample_7 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, 1' _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 16 16 LEU HD1 H 0.953 . 1 2 16 16 LEU HD2 H 0.912 . 1 3 16 16 LEU CD1 C 24.660 . 1 4 16 16 LEU CD2 C 23.295 . 1 5 18 18 LEU HD1 H 0.607 . 1 6 18 18 LEU CD1 C 25.273 . 1 7 25 25 VAL HG1 H 1.098 . 1 8 25 25 VAL HG2 H 1.128 . 1 9 25 25 VAL CG1 C 21.620 . 1 10 25 25 VAL CG2 C 23.484 . 1 11 28 28 ILE HD1 H 0.818 . 1 12 28 28 ILE CD1 C 15.121 . 1 13 32 32 VAL HG1 H 1.075 . 1 14 32 32 VAL CG1 C 22.353 . 1 15 34 34 LEU HD1 H 1.169 . 1 16 34 34 LEU CD1 C 25.749 . 1 17 37 37 LEU HD2 H 0.891 . 1 18 37 37 LEU CD2 C 22.431 . 1 19 43 43 VAL HG2 H 1.050 . 1 20 43 43 VAL CG2 C 22.480 . 1 21 54 54 ILE HD1 H 0.556 . 1 22 54 54 ILE CD1 C 14.804 . 1 23 61 61 VAL HG1 H 1.001 . 1 24 61 61 VAL HG2 H 0.434 . 1 25 61 61 VAL CG1 C 20.867 . 1 26 61 61 VAL CG2 C 23.657 . 1 27 62 62 LEU HD2 H 0.194 . 1 28 62 62 LEU CD2 C 22.226 . 1 29 66 66 VAL HG1 H 0.845 . 1 30 66 66 VAL CG1 C 20.466 . 1 31 86 86 ILE HD1 H 0.229 . 1 32 86 86 ILE CD1 C 13.240 . 1 33 88 88 VAL HG1 H 0.055 . 1 34 88 88 VAL CG1 C 21.928 . 1 35 91 91 LEU HD1 H 0.370 . 1 36 91 91 LEU CD1 C 25.176 . 1 37 93 93 LEU HD2 H 0.867 . 1 38 93 93 LEU CD2 C 23.638 . 1 39 105 105 ILE HD1 H 0.338 . 1 40 105 105 ILE CD1 C 15.494 . 1 41 112 112 ILE HD1 H 0.867 . 1 42 112 112 ILE CD1 C 14.057 . 1 43 121 121 VAL HG2 H 0.743 . 1 44 121 121 VAL CG2 C 20.374 . 1 45 124 124 VAL HG1 H 0.703 . 1 46 124 124 VAL HG2 H 0.725 . 1 47 124 124 VAL CG1 C 21.420 . 1 48 124 124 VAL CG2 C 20.748 . 1 49 127 127 ILE HD1 H 0.606 . 1 50 127 127 ILE CD1 C 9.161 . 1 51 138 138 ILE HD1 H 0.873 . 1 52 138 138 ILE CD1 C 13.494 . 1 53 139 139 LEU HD1 H 1.034 . 1 54 139 139 LEU HD2 H 0.993 . 1 55 139 139 LEU CD1 C 24.091 . 1 56 139 139 LEU CD2 C 25.488 . 1 57 144 144 VAL HG1 H 1.115 . 1 58 144 144 VAL HG2 H 1.140 . 1 59 144 144 VAL CG1 C 20.969 . 1 60 144 144 VAL CG2 C 20.570 . 1 61 146 146 ILE HD1 H 0.050 . 1 62 146 146 ILE CD1 C 14.835 . 1 63 155 155 ILE HD1 H 0.267 . 1 64 155 155 ILE CD1 C 13.206 . 1 65 159 159 LEU HD2 H 0.701 . 1 66 159 159 LEU CD2 C 21.908 . 1 67 160 160 ILE HD1 H 0.758 . 1 68 160 160 ILE CD1 C 14.076 . 1 69 179 179 ILE HD1 H 0.439 . 1 70 179 179 ILE CD1 C 12.869 . 1 71 188 188 LEU HD1 H 0.876 . 1 72 188 188 LEU CD1 C 25.017 . 1 73 200 200 LEU HD1 H 0.158 . 1 74 200 200 LEU HD2 H -0.690 . 1 75 200 200 LEU CD1 C 22.388 . 1 76 200 200 LEU CD2 C 24.258 . 1 77 203 203 LEU HD1 H 0.716 . 1 78 203 203 LEU HD2 H 0.609 . 1 79 203 203 LEU CD1 C 24.729 . 1 80 203 203 LEU CD2 C 24.552 . 1 81 208 208 ILE HD1 H -0.328 . 1 82 208 208 ILE CD1 C 12.017 . 1 83 213 213 VAL HG1 H 1.046 . 1 84 213 213 VAL HG2 H 1.263 . 1 85 213 213 VAL CG1 C 22.668 . 1 86 213 213 VAL CG2 C 24.639 . 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 $sample_6 $sample_7 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, 2' _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 16 16 LEU HD1 H 0.953 . 1 2 16 16 LEU HD2 H 0.912 . 1 3 16 16 LEU CD1 C 24.660 . 1 4 16 16 LEU CD2 C 23.295 . 1 5 18 18 LEU HD1 H 0.656 . 1 6 18 18 LEU CD1 C 25.456 . 1 7 25 25 VAL HG1 H 1.115 . 1 8 25 25 VAL HG2 H 1.176 . 1 9 25 25 VAL CG1 C 21.679 . 1 10 25 25 VAL CG2 C 23.767 . 1 11 28 28 ILE HD1 H 0.818 . 1 12 28 28 ILE CD1 C 15.121 . 1 13 32 32 VAL HG1 H 1.075 . 1 14 32 32 VAL HG2 H 1.072 . 1 15 32 32 VAL CG1 C 22.353 . 1 16 32 32 VAL CG2 C 23.123 . 1 17 34 34 LEU HD1 H 1.169 . 1 18 34 34 LEU CD1 C 25.749 . 1 19 37 37 LEU HD2 H 0.891 . 1 20 37 37 LEU CD2 C 22.431 . 1 21 43 43 VAL HG2 H 1.050 . 1 22 43 43 VAL CG2 C 22.480 . 1 23 51 51 ILE HD1 H 0.545 . 1 24 51 51 ILE CD1 C 14.854 . 1 25 54 54 ILE HD1 H 0.257 . 1 26 54 54 ILE CD1 C 13.300 . 1 27 60 60 ILE HD1 H 0.879 . 1 28 60 60 ILE CD1 C 12.969 . 1 29 61 61 VAL HG1 H 0.982 . 1 30 61 61 VAL HG2 H 0.434 . 1 31 61 61 VAL CG1 C 20.687 . 1 32 61 61 VAL CG2 C 23.657 . 1 33 62 62 LEU HD2 H 0.194 . 1 34 62 62 LEU CD2 C 22.226 . 1 35 66 66 VAL HG1 H 0.809 . 1 36 66 66 VAL HG2 H 0.969 . 1 37 66 66 VAL CG1 C 20.625 . 1 38 66 66 VAL CG2 C 21.930 . 1 39 80 80 ILE HD1 H 0.725 . 1 40 80 80 ILE CD1 C 11.299 . 1 41 83 83 ILE HD1 H 0.871 . 1 42 83 83 ILE CD1 C 13.800 . 1 43 86 86 ILE HD1 H -0.085 . 1 44 86 86 ILE CD1 C 13.421 . 1 45 88 88 VAL HG1 H 0.027 . 1 46 88 88 VAL CG1 C 21.955 . 1 47 91 91 LEU HD1 H 0.371 . 1 48 91 91 LEU CD1 C 24.966 . 1 49 93 93 LEU HD2 H 0.873 . 1 50 93 93 LEU CD2 C 23.695 . 1 51 105 105 ILE HD1 H 0.181 . 1 52 105 105 ILE CD1 C 15.318 . 1 53 112 112 ILE HD1 H 0.903 . 1 54 112 112 ILE CD1 C 14.155 . 1 55 121 121 VAL HG2 H 0.743 . 1 56 121 121 VAL CG2 C 20.374 . 1 57 124 124 VAL HG1 H 0.703 . 1 58 124 124 VAL HG2 H 0.725 . 1 59 124 124 VAL CG1 C 21.420 . 1 60 124 124 VAL CG2 C 20.748 . 1 61 127 127 ILE HD1 H 0.578 . 1 62 127 127 ILE CD1 C 9.047 . 1 63 138 138 ILE HD1 H 0.873 . 1 64 138 138 ILE CD1 C 13.494 . 1 65 139 139 LEU HD1 H 1.043 . 1 66 139 139 LEU HD2 H 0.993 . 1 67 139 139 LEU CD1 C 24.034 . 1 68 139 139 LEU CD2 C 25.488 . 1 69 144 144 VAL HG1 H 1.115 . 1 70 144 144 VAL HG2 H 1.127 . 1 71 144 144 VAL CG1 C 20.969 . 1 72 144 144 VAL CG2 C 20.576 . 1 73 146 146 ILE HD1 H 0.020 . 1 74 146 146 ILE CD1 C 14.761 . 1 75 155 155 ILE HD1 H 0.270 . 1 76 155 155 ILE CD1 C 13.027 . 1 77 159 159 LEU HD2 H 0.701 . 1 78 159 159 LEU CD2 C 21.908 . 1 79 160 160 ILE HD1 H 0.768 . 1 80 160 160 ILE CD1 C 14.124 . 1 81 179 179 ILE HD1 H 0.423 . 1 82 179 179 ILE CD1 C 12.918 . 1 83 188 188 LEU HD1 H 0.876 . 1 84 188 188 LEU CD1 C 25.017 . 1 85 200 200 LEU HD1 H 0.121 . 1 86 200 200 LEU HD2 H -0.675 . 1 87 200 200 LEU CD1 C 22.421 . 1 88 200 200 LEU CD2 C 24.263 . 1 89 203 203 LEU HD1 H 0.716 . 1 90 203 203 LEU HD2 H 0.622 . 1 91 203 203 LEU CD1 C 24.729 . 1 92 203 203 LEU CD2 C 24.208 . 1 93 208 208 ILE HD1 H -0.471 . 1 94 208 208 ILE CD1 C 11.882 . 1 95 213 213 VAL HG1 H 1.046 . 1 96 213 213 VAL HG2 H 1.263 . 1 97 213 213 VAL CG1 C 22.668 . 1 98 213 213 VAL CG2 C 24.639 . 1 stop_ save_