data_26957 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; ICP4 DNA binding domain ; _BMRB_accession_number 26957 _BMRB_flat_file_name bmr26957.str _Entry_type original _Submission_date 2016-11-24 _Accession_date 2016-11-24 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone assignment of the intrinsically disordered region of ICP4 DNA binding domain.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tunnicliffe Richard B. . 2 Golovanov Alexander P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 73 "15N chemical shifts" 34 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-08-25 update BMRB 'update entry citation' 2017-05-23 original author 'original release' stop_ _Original_release_date 2016-11-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The herpes viral transcription factor ICP4 forms a novel DNA recognition complex ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28505309 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tunnicliffe Richard B. . 2 Lockhart-Cairns Michael P. . 3 Levy Colin . . 4 Mould 'A Paul' P. . 5 Jowitt Thomas A. . 6 Sito Hilary . . 7 Baldock Clair . . 8 Sandri-Goldin Rozanne M. . 9 Golovanov Alexander P. . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 45 _Journal_issue 13 _Journal_ISSN 1362-4962 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8064 _Page_last 8078 _Year 2017 _Details . loop_ _Keyword Dimer 'Herpes virus' 'Transcription factor' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ICP4N _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ICP4N $ICP4_DNA_binding_domain stop_ _System_molecular_weight 24367.4 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'DNA binding' 'Transcription factor' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ICP4_DNA_binding_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ICP4_DNA_binding_domain _Molecular_mass 24367.4 _Mol_thiol_state 'all free' loop_ _Biological_function 'Transcription factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 231 _Mol_residue_sequence ; GPAASAGRIERRRARAAVAG RDATGRFTAGQPRRVELDAD ATSGAFYARYRDGYVSGEPW PGAGPPPPGRVLYGGLGDSR PGLWGAPEAEEARRRFEASG APAAVWAPELGDAAQQYALI TRLLYTPDAEAMGWLQNPRV VPGDVALDQACFRISGAARN SSSFITGSVARAVPHLGYAM AAGRFGWGLAHAAAAVAMSR RYDRAQKGFLLTSLRRAYAP LLARENAALTG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 257 GLY 2 258 PRO 3 259 ALA 4 260 ALA 5 261 SER 6 262 ALA 7 263 GLY 8 264 ARG 9 265 ILE 10 266 GLU 11 267 ARG 12 268 ARG 13 269 ARG 14 270 ALA 15 271 ARG 16 272 ALA 17 273 ALA 18 274 VAL 19 275 ALA 20 276 GLY 21 277 ARG 22 278 ASP 23 279 ALA 24 280 THR 25 281 GLY 26 282 ARG 27 283 PHE 28 284 THR 29 285 ALA 30 286 GLY 31 287 GLN 32 288 PRO 33 289 ARG 34 290 ARG 35 291 VAL 36 292 GLU 37 293 LEU 38 294 ASP 39 295 ALA 40 296 ASP 41 297 ALA 42 298 THR 43 299 SER 44 300 GLY 45 301 ALA 46 302 PHE 47 303 TYR 48 304 ALA 49 305 ARG 50 306 TYR 51 307 ARG 52 308 ASP 53 309 GLY 54 310 TYR 55 311 VAL 56 312 SER 57 313 GLY 58 314 GLU 59 315 PRO 60 316 TRP 61 317 PRO 62 318 GLY 63 319 ALA 64 320 GLY 65 321 PRO 66 322 PRO 67 323 PRO 68 324 PRO 69 325 GLY 70 326 ARG 71 327 VAL 72 328 LEU 73 329 TYR 74 330 GLY 75 331 GLY 76 332 LEU 77 333 GLY 78 334 ASP 79 335 SER 80 336 ARG 81 337 PRO 82 338 GLY 83 339 LEU 84 340 TRP 85 341 GLY 86 342 ALA 87 343 PRO 88 344 GLU 89 345 ALA 90 346 GLU 91 347 GLU 92 348 ALA 93 349 ARG 94 350 ARG 95 351 ARG 96 352 PHE 97 353 GLU 98 354 ALA 99 355 SER 100 356 GLY 101 357 ALA 102 358 PRO 103 359 ALA 104 360 ALA 105 361 VAL 106 362 TRP 107 363 ALA 108 364 PRO 109 365 GLU 110 366 LEU 111 367 GLY 112 368 ASP 113 369 ALA 114 370 ALA 115 371 GLN 116 372 GLN 117 373 TYR 118 374 ALA 119 375 LEU 120 376 ILE 121 377 THR 122 378 ARG 123 379 LEU 124 380 LEU 125 381 TYR 126 382 THR 127 383 PRO 128 384 ASP 129 385 ALA 130 386 GLU 131 387 ALA 132 388 MET 133 389 GLY 134 390 TRP 135 391 LEU 136 392 GLN 137 393 ASN 138 394 PRO 139 395 ARG 140 396 VAL 141 397 VAL 142 398 PRO 143 399 GLY 144 400 ASP 145 401 VAL 146 402 ALA 147 403 LEU 148 404 ASP 149 405 GLN 150 406 ALA 151 407 CYS 152 408 PHE 153 409 ARG 154 410 ILE 155 411 SER 156 412 GLY 157 413 ALA 158 414 ALA 159 415 ARG 160 416 ASN 161 417 SER 162 418 SER 163 419 SER 164 420 PHE 165 421 ILE 166 422 THR 167 423 GLY 168 424 SER 169 425 VAL 170 426 ALA 171 427 ARG 172 428 ALA 173 429 VAL 174 430 PRO 175 431 HIS 176 432 LEU 177 433 GLY 178 434 TYR 179 435 ALA 180 436 MET 181 437 ALA 182 438 ALA 183 439 GLY 184 440 ARG 185 441 PHE 186 442 GLY 187 443 TRP 188 444 GLY 189 445 LEU 190 446 ALA 191 447 HIS 192 448 ALA 193 449 ALA 194 450 ALA 195 451 ALA 196 452 VAL 197 453 ALA 198 454 MET 199 455 SER 200 456 ARG 201 457 ARG 202 458 TYR 203 459 ASP 204 460 ARG 205 461 ALA 206 462 GLN 207 463 LYS 208 464 GLY 209 465 PHE 210 466 LEU 211 467 LEU 212 468 THR 213 469 SER 214 470 LEU 215 471 ARG 216 472 ARG 217 473 ALA 218 474 TYR 219 475 ALA 220 476 PRO 221 477 LEU 222 478 LEU 223 479 ALA 224 480 ARG 225 481 GLU 226 482 ASN 227 483 ALA 228 484 ALA 229 485 LEU 230 486 THR 231 487 GLY 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 EMBL CAA32286 'ICP4, IE175, RS1' . . . . . Uniprot P08392 'ICP4, IE175, RS1' . . . . . stop_ 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 $ICP4_DNA_binding_domain 'Human herpesvirus 1' 10298 Viruses . Simplexvirus herpesvirus 17 ICP4 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 _Details $ICP4_DNA_binding_domain 'recombinant technology' . Escherichia coli 'T7 express LysY' pET21a 'N-terminal Strep-tag cleaved by HRV 3C protease leaving N-terminal glycine.' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ICP4N loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ICP4_DNA_binding_domain 0.3 mM '[U-100% 15N]' MES 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' L-Arg 50 mM 'natural abundance' L-Glu 50 mM 'natural abundance' TCEP 1 mM 'natural abundance' MgCl2 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III' _Field_strength 800 _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_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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' 0.15 . M pH 6.6 . 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 'DSS methyl protons' 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0.00 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' 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 ICP4N _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 1 260 4 ALA H H 8.207 0.01 1 2 260 4 ALA HA H 4.23 0.01 1 3 260 4 ALA N N 125.923 0.1 1 4 261 5 SER H H 8.151 0.01 1 5 261 5 SER HA H 4.32 0.01 1 6 261 5 SER N N 114.730 0.1 1 7 262 6 ALA H H 8.253 0.01 5 8 262 6 ALA HA H 4.19 0.01 5 9 262 6 ALA N N 125.495 0.1 5 10 263 7 GLY H H 8.254 0.01 1 11 263 7 GLY HA2 H 3.84 0.01 2 12 263 7 GLY HA3 H 3.84 0.01 2 13 263 7 GLY N N 107.822 0.1 1 14 264 8 ARG H H 8.207 0.01 1 15 264 8 ARG HA H 4.24 0.1 1 16 264 8 ARG N N 120.705 0.1 1 17 265 9 ILE H H 8.146 0.01 1 18 265 9 ILE HA H 4.02 0.01 1 19 265 9 ILE N N 122.725 0.1 1 20 266 10 GLU H H 8.466 0.01 1 21 266 10 GLU HA H 4.18 0.01 1 22 266 10 GLU N N 125.766 0.1 1 23 267 11 ARG H H 8.093 0.01 1 24 267 11 ARG HA H 4.29 0.01 1 25 267 11 ARG N N 120.353 0.1 1 26 268 12 ARG H H 8.295 0.01 5 27 268 12 ARG HA H 4.19 0.01 5 28 268 12 ARG N N 122.235 0.1 5 29 269 13 ARG H H 7.991 0.01 1 30 269 13 ARG HA H 4.55 0.01 1 31 269 13 ARG N N 120.620 0.1 1 32 270 14 ALA H H 8.284 0.01 1 33 270 14 ALA HA H 4.24 0.01 1 34 270 14 ALA N N 124.428 0.1 1 35 271 15 ARG H H 8.218 0.01 5 36 271 15 ARG HA H 4.24 0.01 5 37 271 15 ARG N N 120.489 0.1 5 38 272 16 ALA H H 8.206 0.01 5 39 272 16 ALA HA H 4.19 0.01 5 40 272 16 ALA N N 125.360 0.1 5 41 273 17 ALA H H 8.190 0.01 1 42 273 17 ALA HA H 4.22 0.01 1 43 273 17 ALA N N 123.657 0.1 1 44 274 18 VAL H H 7.981 0.01 1 45 274 18 VAL HA H 4.00 0.01 1 46 274 18 VAL N N 119.300 0.1 1 47 275 19 ALA H H 8.297 0.01 1 48 275 19 ALA HA H 4.23 0.01 1 49 275 19 ALA N N 127.893 0.1 1 50 276 20 GLY H H 8.301 0.01 1 51 276 20 GLY HA2 H 3.86 0.01 2 52 276 20 GLY HA3 H 3.86 0.01 2 53 276 20 GLY N N 108.357 0.1 1 54 277 21 ARG H H 8.293 0.01 5 55 277 21 ARG HA H 4.19 0.01 5 56 277 21 ARG N N 122.622 0.1 5 57 278 22 ASP H H 8.345 0.01 1 58 278 22 ASP HA H 4.52 0.01 1 59 278 22 ASP N N 121.170 0.1 1 60 279 23 ALA H H 8.295 0.01 1 61 279 23 ALA HA H 4.23 0.01 1 62 279 23 ALA N N 123.621 0.1 1 63 280 24 THR H H 8.107 0.01 1 64 280 24 THR HA H 4.22 0.01 1 65 280 24 THR N N 111.574 0.1 1 66 281 25 GLY H H 8.207 0.01 1 67 281 25 GLY HA2 H 3.84 0.01 2 68 281 25 GLY HA3 H 3.84 0.01 2 69 281 25 GLY N N 110.675 0.1 1 70 282 26 ARG H H 8.322 0.01 5 71 282 26 ARG HA H 4.20 0.01 5 72 282 26 ARG N N 122.969 0.1 5 73 283 27 PHE H H 8.190 0.01 1 74 283 27 PHE HA H 4.22 0.01 1 75 283 27 PHE N N 123.657 0.1 1 76 284 28 THR H H 7.967 0.01 1 77 284 28 THR HA H 4.22 0.01 1 78 284 28 THR N N 116.686 0.1 1 79 285 29 ALA H H 8.249 0.01 5 80 285 29 ALA HA H 4.22 0.01 5 81 285 29 ALA N N 126.275 0.1 5 82 286 30 GLY H H 8.304 0.01 1 83 286 30 GLY HA2 H 3.86 0.01 2 84 286 30 GLY HA3 H 3.86 0.01 2 85 286 30 GLY N N 107.764 0.1 1 86 287 31 GLN H H 8.328 0.01 1 87 287 31 GLN HA H 4.21 0.01 1 88 287 31 GLN N N 121.175 0.1 1 89 289 33 ARG H H 8.028 0.01 5 90 289 33 ARG HA H 4.24 0.01 5 91 289 33 ARG N N 121.094 0.1 5 92 483 227 ALA H H 8.329 0.01 5 93 483 227 ALA HA H 4.19 0.01 5 94 483 227 ALA N N 125.250 0.1 5 95 484 228 ALA H H 8.439 0.01 5 96 484 228 ALA HA H 4.21 0.01 5 97 484 228 ALA N N 124.744 0.1 5 98 485 229 LEU H H 7.925 0.01 1 99 485 229 LEU HA H 4.15 0.01 1 100 485 229 LEU N N 120.455 0.1 1 101 486 230 THR H H 8.151 0.01 1 102 486 230 THR HA H 4.32 0.01 1 103 486 230 THR N N 114.730 0.1 1 104 487 231 GLY H H 7.909 0.01 1 105 487 231 GLY HA2 H 3.73 0.01 2 106 487 231 GLY HA3 H 3.73 0.01 2 107 487 231 GLY N N 117.396 0.1 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 7,38,79,92,95 8,39,80,93,96 9,40,81,94,97 26,35,54,70,89 27,36,55,71,90 28,37,56,72,91 stop_ save_