Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T69200 | Target Info | |||
| Target Name | Mitotic growth and transcription activator (BAF190A) | ||||
| Synonyms | Transcription activator BRG1; SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A member 4; SNF2L4; SNF2B; SNF2-beta; Protein brahma homolog 1; Protein BRG-1; BRG1-associated factor 190A; BRG1; ATP-dependent helicase SMARCA4 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | SMARCA4 | ||||
| Biochemical Class | Acid anhydride hydrolase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: adenosine diphosphate | Ligand Info | |||||
| Structure Description | The motor-nucleosome module of human chromatin remodeling PBAF-nucleosome complex | PDB:7VDT | ||||
| Method | Electron microscopy | Resolution | 2.80 Å | Mutation | No | [1] |
| PDB Sequence |
KLIDQKKDKR
549 LAYLLQQTDE559 YYAVAHAVTE740 RVDKQSALMV750 NGVLKQYQIK760 GLEWLVSLYN 770 NNLNGILADE780 MGLGKTIQTI790 ALITYLMEHK800 RINGPFLIIV810 PLSTLSNWAY 820 EFDKWAPSVV830 KVSYKGSPAA840 RRAFVPQLRS850 GKFNVLLTTY860 EYIIKDKHIL 870 AKIRWKYMIV880 DEGHRMKNHH890 CKLTQVLNTH900 YVAPRRLLLT910 GTPLQNKLPE 920 LWALLNFLLP930 TIFKSCSTFE940 QWFNAPFAMT950 GEKVDLNEEE960 TILIIRRLHK 970 VLRPFLLRRL980 KKEVEAQLPE990 KVEYVIKCDM1000 SALQRVLYRH1010 MQAKGVLLTD 1020 GSGTKTLMNT1038 IMQLRKICNH1048 PYMFQHIEES1058 FSEHLGFTGG1068 IVQGLDLYRA 1078 SGKFELLDRI1088 LPKLRATNHK1098 VLLFCQMTSL1108 MTIMEDYFAY1118 RGFKYLRLDG 1128 TTKAEDRGML1138 LKTFNEPGSE1148 YFIFLLSTRA1158 GGLGLNLQSA1168 DTVIIFDSDW 1178 NPHQDLQAQD1188 RAHRIGQQNE1198 VRVLRLCTVN1208 SVEEKILAAA1218 KYKLNVDQKV 1228 IQAGMFDQKS1238 SSHERRAFLQ1248 AILEHEEQDE1258 EEDEVPDDET1268 VNQMIARHEE 1278 EFDLFMRMDL1288 DRRREEARNP1298 KRKPRLMEED1308 ELPSWIIKEK1332 MFGRGSRHRK 1342 EVDYSDS
|
|||||
|
|
||||||
| Ligand Name: PFI-3 | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human BRG1 (SMARCA4) in complex with PFI-3 chemical probe | PDB:5DKD | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [2] |
| PDB Sequence |
NLTKKMKKIV
1466 DAVIKYKDSS1476 SGRQLSEVFI1486 QLPSRKELPE1496 YYELIRKPVD1506 FKKIKERIRN 1516 HKYRSLNDLE1526 KDVMLLCQNA1536 QTFNLEGSLI1546 YEDSIVLQSV1556 FTSVRQKIEK 1566
|
|||||
|
|
||||||
| Ligand Name: 1-Methyl-2-pyrrolidinone | Ligand Info | |||||
| Structure Description | Crystal Structure of the bromodomain of human Transcription activator BRG1 (SMARCA4) in complex with N-Methyl-2-pyrrolidone | PDB:3UVD | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [3] |
| PDB Sequence |
MAEKLSPNPP
1456 NLTKKMKKIV1466 DAVIKYKDSS1476 SGRQLSEVFI1486 QLPSRKELPE1496 YYELIRKPVD 1506 FKKIKERIRN1516 HKYRSLNDLE1526 KDVMLLCQNA1536 QTFNLEGSLI1546 YEDSIVLQSV 1556 FTSVRQKIEK1566 ED
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MB3 or .MB32 or .MB33 or :3MB3;style chemicals stick;color identity;select .A:1484 or .A:1485 or .A:1488 or .A:1489 or .A:1494 or .A:1497 or .A:1535 or .A:1536 or .A:1539 or .A:1540 or .A:1546; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(6-Azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol | Ligand Info | |||||
| Structure Description | Crystal Structure of the bromodomain of human transcription activator BRG1 (SMARCA4) in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol | PDB:6ZS2 | ||||
| Method | X-ray diffraction | Resolution | 1.57 Å | Mutation | No | [4] |
| PDB Sequence |
SMLSPNPPNL
1458 TKKMKKIVDA1468 VIKYKDSSSG1478 RQLSEVFIQL1488 PSRKELPEYY1498 ELIRKPVDFK 1508 KIKERIRNHK1518 YRSLNDLEKD1528 VMLLCQNAQT1538 FNLEGSLIYE1548 DSIVLQSVFT 1558 SVRQKIEKED1568 D
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FX5 or .FX52 or .FX53 or :3FX5;style chemicals stick;color identity;select .A:1484 or .A:1485 or .A:1486 or .A:1487 or .A:1488 or .A:1489 or .A:1494 or .A:1497 or .A:1505 or .A:1506 or .A:1532 or .A:1535 or .A:1536 or .A:1539 or .A:1540 or .A:1546; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA4 and pVHL:ElonginC:ElonginB | PDB:6HR2 | ||||
| Method | X-ray diffraction | Resolution | 1.76 Å | Mutation | No | [5] |
| PDB Sequence |
SPNPPNLTKK
1461 MKKIVDAVIK1471 YKDSSSGRQL1481 SEVFIQLPSR1491 KELPEYYELI1501 RKPVDFKKIK 1511 ERIRNHKYRS1521 LNDLEKDVML1531 LCQNAQTFNL1541 EGSLIYEDSI1551 VLQSVFTSVR 1561 QKIEKED
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FWZ or .FWZ2 or .FWZ3 or :3FWZ;style chemicals stick;color identity;select .A:1484 or .A:1485 or .A:1486 or .A:1487 or .A:1488 or .A:1489 or .A:1494 or .A:1496 or .A:1497 or .A:1500 or .A:1505 or .A:1506 or .A:1507 or .A:1532 or .A:1535 or .A:1536 or .A:1539 or .A:1540 or .A:1541 or .A:1545 or .A:1546; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL1484
2.357
PHE1485
2.629
ILE1486
4.164
GLN1487
3.172
LEU1488
2.706
PRO1489
2.511
LEU1494
2.311
GLU1496
4.669
TYR1497
2.066
LEU1500
4.570
VAL1505
2.563
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of human chromatin-remodelling PBAF complex bound to a nucleosome. Nature. 2022 May;605(7908):166-171. | ||||
| REF 2 | Crystal structure of the bromodomain of human BRG1 (SMARCA4) in complex with PFI-3 chemical probe | ||||
| REF 3 | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell. 2012 Mar 30;149(1):214-31. | ||||
| REF 4 | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J Med Chem. 2020 Dec 10;63(23):14680-14699. | ||||
| REF 5 | BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design. Nat Chem Biol. 2019 Jul;15(7):672-680. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.