Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T25956 | Target Info | |||
| Target Name | Histone acetyltransferase p300 (EP300) | ||||
| Synonyms | p300 HAT; Protein propionyltransferase p300; P300; Histone crotonyltransferase p300; Histone butyryltransferase p300; E1Aassociated protein p300; E1A-associated protein p300 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | EP300 | ||||
| Biochemical Class | Acyltransferase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: propionyl-CoA | Ligand Info | |||||
| Structure Description | Crystal structure of the p300 acetyltransferase catalytic core with propionyl-coenzyme A. | PDB:5LKX | ||||
| Method | X-ray diffraction | Resolution | 2.52 Å | Mutation | Yes | [1] |
| PDB Sequence |
KKIFKPEELR
1055 QALMPTLEAL1065 YRQDPESLPF1075 RQPVDPQLLG1085 IPDYFDIVKS1095 PMDLSTIKRK 1105 LDTGQYQEPW1115 QYVDDIWLMF1125 NNAWLYNRKT1135 SRVYKYCSKL1145 SEVFEQEIDP 1155 VMQSLGYCCG1165 RKLEFSPQTL1175 CCYGKQLCTI1185 PRDATYYSYQ1195 NRYHFCEKCF 1205 NEIQGESVSL1215 GQTTINKEQF1231 SKRKNDTLDP1241 ELFVECTECG1251 RKMHQICVLH 1261 HEIIWPAGFV1271 CDGCLKKSAR1281 TRKENKFSAK1291 RLPSTRLGTF1301 LENRVNDFLR 1311 RQNHPESGEV1321 TVRVVHASDK1331 TVEVKPGMKA1341 RFVDSGEMAE1351 SFPYRTKALF 1361 AFEEIDGVDL1371 CFFGMHVQEY1381 GSDCPPPNQR1391 RVYISYLDSV1401 HFFRPKCLRT 1411 AVYHEILIGY1421 LEYVKKLGYT1431 TGHIWACPPS1441 EGDDYIFHCH1451 PPDQKIPKPK 1461 RLQEWFKKML1471 DKAVSERIVH1481 DYKDIFKQAT1491 EDRLTSAKEL1501 PYFEGDFWPN 1511 VLEESIKESG1521 GSGSQKLYAT1587 MEKHKEVFFV1597 IRLIAGPAAN1607 SLPPIVDPDP 1617 LIPCDLMDGR1627 DAFLTLARDK1637 HLEFSSLRRA1647 QWSTMCMLVE1657 LHTQ |
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|
|
PHE1374
4.974
TYR1394
4.995
ILE1395
4.007
SER1396
3.337
TYR1397
3.724
LEU1398
3.007
ASP1399
3.602
SER1400
2.628
ARG1410
2.794
THR1411
2.744
TYR1414
3.447
TRP1436
3.436
ALA1437
4.177
CYS1438
3.242
|
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| Ligand Name: Acetyl CoA | Ligand Info | |||||
| Structure Description | Crystal structure of p300 histone acetyltransferase domain in complex with Acetyl-Coenzyme A | PDB:4PZS | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | Yes | [2] |
| PDB Sequence |
KFSAKRLPST
1296 RLGTFLENRV1306 NDFLRRQNHP1316 ESGEVTVRVV1326 HASDKTVEVK1336 PGMKARFVDS 1346 GEMAESFPYR1356 TKALFAFEEI1366 DGVDLCFFGM1376 HVQEYGSDCP1386 PPNQRRVYIS 1396 YLDSVHFFRP1406 KCLRTAVYHE1416 ILIGYLEYVK1426 KLGYTTGHIW1436 ACPPSEGDDY 1446 IFHCHPPDQK1456 IPKPKRLQEW1466 FKKMLDKAVS1476 ERIVHDYKDI1486 FKQATEDRLT 1496 SAKELPYFEG1506 DFWPNVLEES1516 IKELEQEEEE1526 RKREENTSDL1580 SQKLYATMEK 1590 HKEVFFVIRL1600 IAGPAANSLP1610 PIVDPDPLIP1620 CDLMDGRDAF1630 LTLARDKHLE 1640 FSSLRRAQWS1650 TMCMLVELHT1660 QSQD
|
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|
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ILE1395
3.049
SER1396
4.425
TYR1397
3.514
LEU1398
3.032
ASP1399
3.690
SER1400
2.766
LYS1407
4.853
ARG1410
2.813
THR1411
2.603
TYR1414
3.256
ILE1435
4.240
TRP1436
3.178
ALA1437
4.778
|
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| Ligand Name: Coenzyme A | Ligand Info | |||||
| Structure Description | Crystal structure of the p300 acetyltransferase domain with allosteric inhibitor CPI-076 and CoA | PDB:6PGU | ||||
| Method | X-ray diffraction | Resolution | 1.72 Å | Mutation | Yes | [3] |
| PDB Sequence |
SKFSAKRLPS
1295 TRLGTFLENR1305 VNDFLRRQNH1315 PESGEVTVRV1325 VHASDKTVEV1335 KPGMKARFVD 1345 SGEMAESFPY1355 RTKALFAFEE1365 IDGVDLCFFG1375 MHVQEYGSDC1385 PPPNQRRVYI 1395 SYLDSVHFFR1405 PKCLRTAVYH1415 EILIGYLEYV1425 KKLGYTTGHI1435 WACPPSEGDD 1445 YIFHCHPPDQ1455 KIPKPKRLQE1465 WFKKMLDKAV1475 SERIVHDYKD1485 IFKQATEDRL 1495 TSAKELPYFE1505 GDFWPNVLEE1515 SIQKLYATME1589 KHKEVFFVIR1599 LIAGPAANSL 1609 PPIVDPDPLI1619 PCDLMDGRDA1629 FLTLARDKHL1639 EFSSLRRAQW1649 STMCMLVELH 1659 TQS
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .COA or .COA2 or .COA3 or :3COA;style chemicals stick;color identity;select .A:1396 or .A:1397 or .A:1398 or .A:1399 or .A:1400 or .A:1410 or .A:1411 or .A:1414 or .A:1436 or .A:1437 or .A:1438 or .A:1439 or .A:1440 or .A:1446 or .A:1455 or .A:1456 or .A:1457 or .A:1458 or .A:1459 or .A:1462 or .A:1463 or .A:1466 or .A:1467; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER1396
4.696
TYR1397
4.156
LEU1398
3.103
ASP1399
3.606
SER1400
2.528
ARG1410
2.743
THR1411
2.687
TYR1414
3.372
TRP1436
3.520
ALA1437
4.577
CYS1438
3.826
PRO1439
3.653
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: SGC-CBP30 | Ligand Info | |||||
| Structure Description | Crystal structure of EP300 bromodomain in complex with SGC-CBP30 chemical probe | PDB:5BT3 | ||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | No | [4] |
| PDB Sequence |
IFKPEELRQA
1057 LMPTLEALYR1067 QDPESLPFRQ1077 PVDPQLLGIP1087 DYFDIVKSPM1097 DLSTIKRKLD 1107 TGQYQEPWQY1117 VDDIWLMFNN1127 AWLYNRKTSR1137 VYKYCSKLSE1147 VFEQEIDPVM 1157 QSLG
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2LO or .2LO2 or .2LO3 or :32LO;style chemicals stick;color identity;select .A:1070 or .A:1073 or .A:1074 or .A:1075 or .A:1077 or .A:1079 or .A:1084 or .A:1086 or .A:1089 or .A:1128 or .A:1131 or .A:1132 or .A:1137 or .A:1138 or .A:1141; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: butyryl-CoA | Ligand Info | |||||
| Structure Description | Crystal structure of the p300 acetyltransferase catalytic core with butyryl-coenzyme A. | PDB:5LKT | ||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | Yes | [1] |
| PDB Sequence |
KKIFKPEELR
1055 QALMPTLEAL1065 YRQDPESLPF1075 RQPVDPQLLG1085 IPDYFDIVKS1095 PMDLSTIKRK 1105 LDTGQYQEPW1115 QYVDDIWLMF1125 NNAWLYNRKT1135 SRVYKYCSKL1145 SEVFEQEIDP 1155 VMQSLGYCCG1165 RKLEFSPQTL1175 CCYCTIPRDA1189 TYYSYQNRYH1199 FCEKCFNEIQ 1209 GESVSLGQTT1225 INKEQFSKRK1235 NDTLDPELFV1245 ECTECGRKMH1255 QICVLHHEII 1265 WPAGFVCDGC1275 LKKSARTRKE1285 NKFSAKRLPS1295 TRLGTFLENR1305 VNDFLRRQNH 1315 PESGEVTVRV1325 VHASDKTVEV1335 KPGMKARFVD1345 SGEMAESFPY1355 RTKALFAFEE 1365 IDGVDLCFFG1375 MHVQEYGSDC1385 PPPNQRRVYI1395 SYLDSVHFFR1405 PKCLRTAVYH 1415 EILIGYLEYV1425 KKLGYTTGHI1435 WACPPSEGDD1445 YIFHCHPPDQ1455 KIPKPKRLQE 1465 WFKKMLDKAV1475 SERIVHDYKD1485 IFKQATEDRL1495 TSAKELPYFE1505 GDFWPNVLEE 1515 SIKESGGSGS1581 QKLYATMEKH1591 KEVFFVIRLI1601 AGPAANSLPP1611 IVDPDPLIPC 1621 DLMDGRDAFL1631 TLARDKHLEF1641 SSLRRAQWST1651 MCMLVELHTQ1661 S |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BCO or .BCO2 or .BCO3 or :3BCO;style chemicals stick;color identity;select .A:1374 or .A:1394 or .A:1395 or .A:1396 or .A:1397 or .A:1398 or .A:1399 or .A:1400 or .A:1410 or .A:1411 or .A:1414 or .A:1436 or .A:1437 or .A:1438 or .A:1439 or .A:1440 or .A:1446 or .A:1451 or .A:1455 or .A:1456 or .A:1457 or .A:1458 or .A:1459 or .A:1462 or .A:1463 or .A:1466 or .A:1467; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE1374
4.961
TYR1394
4.206
ILE1395
3.894
SER1396
3.395
TYR1397
3.334
LEU1398
2.927
ASP1399
3.461
SER1400
2.564
ARG1410
2.809
THR1411
2.575
TYR1414
3.377
TRP1436
3.251
ALA1437
4.240
CYS1438
3.485
|
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| Ligand Name: crotonoyl-CoA | Ligand Info | |||||
| Structure Description | Crystal structure of the p300 acetyltransferase catalytic core with crotonyl-coenzyme A. | PDB:5LKZ | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [1] |
| PDB Sequence |
KKIFKPEELR
1055 QALMPTLEAL1065 YRQDPESLPF1075 RQPVDPQLLG1085 IPDYFDIVKS1095 PMDLSTIKRK 1105 LDTGQYQEPW1115 QYVDDIWLMF1125 NNAWLYNRKT1135 SRVYKYCSKL1145 SEVFEQEIDP 1155 VMQSLGYCCG1165 RKLEFSPQTL1175 CCYGLCTIPR1187 DATYYSYQNR1197 YHFCEKCFNE 1207 ESVSLGQTTI1226 NKEQFSKRKN1236 DTLDPELFVE1246 CTECGRKMHQ1256 ICVLHHEIIW 1266 PAGFVCDGCL1276 KKSARTRKEN1286 KFSAKRLPST1296 RLGTFLENRV1306 NDFLRRQNHP 1316 ESGEVTVRVV1326 HASDKTVEVK1336 PGMKARFVDS1346 GEMAESFPYR1356 TKALFAFEEI 1366 DGVDLCFFGM1376 HVQEYGSDCP1386 PPNQRRVYIS1396 YLDSVHFFRP1406 KCLRTAVYHE 1416 ILIGYLEYVK1426 KLGYTTGHIW1436 ACPPSEGDDY1446 IFHCHPPDQK1456 IPKPKRLQEW 1466 FKKMLDKAVS1476 ERIVHDYKDI1486 FKQATEDRLT1496 SAKELPYFEG1506 DFWPNVLEES 1516 IKESGGSGSQ1582 KLYATMEKHK1592 EVFFVIRLIA1602 GPAANSLPPI1612 VDPDPLIPCD 1622 LMDGRDAFLT1632 LARDKHLEFS1642 SLRRAQWSTM1652 CMLVELHTQS1662 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .COO or .COO2 or .COO3 or :3COO;style chemicals stick;color identity;select .A:1374 or .A:1394 or .A:1395 or .A:1396 or .A:1397 or .A:1398 or .A:1399 or .A:1400 or .A:1410 or .A:1411 or .A:1414 or .A:1436 or .A:1437 or .A:1438 or .A:1439 or .A:1440 or .A:1446 or .A:1451 or .A:1455 or .A:1456 or .A:1457 or .A:1458 or .A:1459 or .A:1462 or .A:1463 or .A:1466 or .A:1467; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1374
4.839
TYR1394
3.768
ILE1395
4.122
SER1396
3.144
TYR1397
3.645
LEU1398
3.300
ASP1399
3.435
SER1400
2.718
ARG1410
2.817
THR1411
2.716
TYR1414
3.438
TRP1436
2.999
ALA1437
4.384
CYS1438
3.751
|
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| Ligand Name: 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide | Ligand Info | |||||
| Structure Description | Human P300 complexed with a proline-based inhibitor | PDB:7SS8 | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [5] |
| PDB Sequence |
GIFKPEELRQ
1056 ALMPTLEALY1066 RQDPESLPFR1076 QPVDPQLLGI1086 PDYFDIVKSP1096 MDLSTIKRKL 1106 DTGQYQEPWQ1116 YVDDIWLMFN1126 NAWLYNRKTS1136 RVYKYCSKLS1146 EVFEQEIDPV 1156 MQSLGYCCGR1166 KLEFSPNDTL1239 DPELFVECTE1249 CGRKMHQICV1259 LHHEIIWPAG 1269 FVCDGCLKKS1279 ARTRKENKFS1289 AKRLPSTRLG1299 TFLENRVNDF1309 LRRQNHPESG 1319 EVTVRVVHAS1329 DKTVEVKPGM1339 KARFVDSGEM1349 AESFPYRTKA1359 LFAFEEIDGV 1369 DLCFFGMHVQ1379 EYGSDCPPPN1389 QRRVYISYLD1399 SVHFFRPKCL1409 RTAVYHEILI 1419 GYLEYVKKLG1429 YTTGHIWACP1439 PSEGDDYIFH1449 CHPPDQKIPK1459 PKRLQEWFKK 1469 MLDKAVSERI1479 VHDYKDIFKQ1489 ATEDRSAKEL1501 PYFEGDFWPN1511 VLEESILYAT 1587 MEKHKEVFFV1597 IRLIAGPAAN1607 SLPPIVDPDP1617 LIPCDLMDGR1627 DAFLTLARDK 1637 HLEFSSLRRA1647 QWSTMCMLVE1657 LHTQ
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C0C or .C0C2 or .C0C3 or :3C0C;style chemicals stick;color identity;select .A:1374 or .A:1398 or .A:1399 or .A:1400 or .A:1414 or .A:1418 or .A:1439 or .A:1440 or .A:1444 or .A:1445 or .A:1446 or .A:1451 or .A:1452 or .A:1453 or .A:1455 or .A:1456 or .A:1457 or .A:1458 or .A:1462 or .A:1463 or .A:1466 or .A:1467; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE1374
4.166
LEU1398
3.588
ASP1399
2.919
SER1400
2.630
TYR1414
3.497
LEU1418
4.326
PRO1439
4.840
PRO1440
3.791
ASP1444
3.564
ASP1445
3.744
TYR1446
3.701
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| Ligand Name: N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopentane-1-carboxamide | Ligand Info | |||||
| Structure Description | Human P300 complexed with a glycine-based inhibitor | PDB:7SSK | ||||
| Method | X-ray diffraction | Resolution | 2.36 Å | Mutation | Yes | [5] |
| PDB Sequence |
GIFKPEELRQ
1056 ALMPTLEALY1066 RQDPESLPFR1076 QPVDPQLLGI1086 PDYFDIVKSP1096 MDLSTIKRKL 1106 DTGQYQEPWQ1116 YVDDIWLMFN1126 NAWLYNRKTS1136 RVYKYCSKLS1146 EVFEQEIDPV 1156 MQSLGYCCGR1166 KLEFSPQTLD1240 PELFVECTEC1250 GRKMHQICVL1260 HHEIIWPAGF 1270 VCDGCLKKSA1280 RTRKENKFSA1290 KRLPSTRLGT1300 FLENRVNDFL1310 RRQNHPESGE 1320 VTVRVVHASD1330 KTVEVKPGMK1340 ARFVDSGEMA1350 ESFPYRTKAL1360 FAFEEIDGVD 1370 LCFFGMHVQE1380 YGSDCPPPNQ1390 RRVYISYLDS1400 VHFFRPKCLR1410 TAVYHEILIG 1420 YLEYVKKLGY1430 TTGHIWACPP1440 SEGDDYIFHC1450 HPPDQKIPKP1460 KRLQEWFKKM 1470 LDKAVSERIV1480 HDYKDIFKQA1490 TEDSAKELPY1503 FEGDFWPNVL1513 EESILYATME 1589 KHKEVFFVIR1599 LIAGPAANSL1609 PPIVDPDPLI1619 PCDLMDGRDA1629 FLTLARDKHL 1639 EFSSLRRAQW1649 STMCMLVELH1659 TQ
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C3I or .C3I2 or .C3I3 or :3C3I;style chemicals stick;color identity;select .A:1374 or .A:1398 or .A:1399 or .A:1400 or .A:1414 or .A:1440 or .A:1443 or .A:1444 or .A:1445 or .A:1446 or .A:1451 or .A:1452 or .A:1455 or .A:1456 or .A:1457 or .A:1458 or .A:1463 or .A:1466; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: CBP/p300-IN-17 | Ligand Info | |||||
| Structure Description | Crystal structure of EP300 HAT domain in complex with compound 7 | PDB:7VHZ | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [6] |
| PDB Sequence |
YCCGRKLEFS
1171 PQTLCCYGKQ1181 LCTIPRDATY1191 YSYQNRYHFC1201 EKCFNEIQGE1211 SVSLGQTTIN 1227 KEQFSKRKND1237 TLDPELFVEC1247 TECGRKMHQI1257 CVLHHEIIWP1267 AGFVCDGCLK 1277 KSARTRKENK1287 FSAKRLPSTR1297 LGTFLENRVN1307 DFLRRQNHPE1317 SGEVTVRVVH 1327 ASDKTVEVKP1337 GMKARFVDSG1347 EMAESFPYRT1357 KALFAFEEID1367 GVDLCFFGMH 1377 VQEYGSDCPP1387 PNQRRVYISY1397 LDSVHFFRPK1407 CLRTAVYHEI1417 LIGYLEYVKK 1427 LGYTTGHIWA1437 CPPSEGDDYI1447 FHCHPPDQKI1457 PKPKRLQEWF1467 KKMLDKAVSE 1477 RIVHDYKDIF1487 KQATEDRLTS1497 AKELPYFEGD1507 FWPNVLEESI1517 KESGGSGSQK 1583 LYATMEKHKE1593 VFFVIRLIAG1603 PAANSLPPIV1613 DPDPLIPCDL1623 MDGRDAFLTL 1633 ARDKHLEFSS1643 LRRAQWSTMC1653 MLVELHTQSQ1663 D
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6TI or .6TI2 or .6TI3 or :36TI;style chemicals stick;color identity;select .A:1374 or .A:1398 or .A:1399 or .A:1400 or .A:1414 or .A:1439 or .A:1440 or .A:1443 or .A:1444 or .A:1445 or .A:1446 or .A:1451 or .A:1455 or .A:1456 or .A:1457 or .A:1458 or .A:1462 or .A:1463 or .A:1466; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1374
4.017
LEU1398
3.508
ASP1399
2.888
SER1400
2.718
TYR1414
3.511
PRO1439
4.560
PRO1440
3.568
GLY1443
3.056
ASP1444
3.980
ASP1445
4.014
|
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| Ligand Name: (4S)-N-(3H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-1,1-bis(oxidanylidene)-1,3-thiazolidine-4-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of EP300 HAT domain in complex with compound 11 | PDB:7VI0 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [6] |
| PDB Sequence |
YCCGRKLEFS
1171 PQTLCCYGKQ1181 LCTIPRDATY1191 YSYQNRYHFC1201 EKCFNEIQGE1211 SVSLGQTTIN 1227 KEQFSKRKND1237 TLDPELFVEC1247 TECGRKMHQI1257 CVLHHEIIWP1267 AGFVCDGCLK 1277 KSARTRKENK1287 FSAKRLPSTR1297 LGTFLENRVN1307 DFLRRQNHPE1317 SGEVTVRVVH 1327 ASDKTVEVKP1337 GMKARFVDSG1347 EMAESFPYRT1357 KALFAFEEID1367 GVDLCFFGMH 1377 VQEYGSDCPP1387 PNQRRVYISY1397 LDSVHFFRPK1407 CLRTAVYHEI1417 LIGYLEYVKK 1427 LGYTTGHIWA1437 CPPSEGDDYI1447 FHCHPPDQKI1457 PKPKRLQEWF1467 KKMLDKAVSE 1477 RIVHDYKDIF1487 KQATEDRLTS1497 AKELPYFEGD1507 FWPNVLEESI1517 KESGGSGSQK 1583 LYATMEKHKE1593 VFFVIRLIAG1603 PAANSLPPIV1613 DPDPLIPCDL1623 MDGRDAFLTL 1633 ARDKHLEFSS1643 LRRAQWSTMC1653 MLVELHTQSQ1663 D
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6YI or .6YI2 or .6YI3 or :36YI;style chemicals stick;color identity;select .A:1374 or .A:1398 or .A:1399 or .A:1400 or .A:1414 or .A:1438 or .A:1439 or .A:1440 or .A:1443 or .A:1444 or .A:1445 or .A:1446 or .A:1451 or .A:1455 or .A:1456 or .A:1457 or .A:1458 or .A:1462 or .A:1463 or .A:1466 or .A:1467; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1374
4.045
LEU1398
3.358
ASP1399
2.927
SER1400
2.827
TYR1414
3.711
CYS1438
3.551
PRO1439
3.341
PRO1440
3.388
GLY1443
3.072
ASP1444
3.706
ASP1445
4.165
|
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| Ligand Name: [(6R)-6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone | Ligand Info | |||||
| Structure Description | Crystal structure of EP300 HAT domain in complex with compound (+)-3 | PDB:7VHY | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [6] |
| PDB Sequence |
YCCGRKLEFS
1171 PQTLCCYGKQ1181 LCTIPRDATY1191 YSYQNRYHFC1201 EKCFNEIQGE1211 SVSLTTINKE 1229 QFSKRKNDTL1239 DPELFVECTE1249 CGRKMHQICV1259 LHHEIIWPAG1269 FVCDGCLKKS 1279 ARTRKENKFS1289 AKRLPSTRLG1299 TFLENRVNDF1309 LRRQNHPESG1319 EVTVRVVHAS 1329 DKTVEVKPGM1339 KARFVDSGEM1349 AESFPYRTKA1359 LFAFEEIDGV1369 DLCFFGMHVQ 1379 EYGSDCPPPN1389 QRRVYISYLD1399 SVHFFRPKCL1409 RTAVYHEILI1419 GYLEYVKKLG 1429 YTTGHIWACP1439 PSEGDDYIFH1449 CHPPDQKIPK1459 PKRLQEWFKK1469 MLDKAVSERI 1479 VHDYKDIFKQ1489 ATEDRLTSAK1499 ELPYFEGDFW1509 PNVLEESIKE1519 SGGSGSQKLY 1585 ATMEKHKEVF1595 FVIRLIAGPA1605 ANSLPPIVDP1615 DPLIPCDLMD1625 GRDAFLTLAR 1635 DKHLEFSSLR1645 RAQWSTMCML1655 VELHTQS
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6QI or .6QI2 or .6QI3 or :36QI;style chemicals stick;color identity;select .A:1374 or .A:1398 or .A:1399 or .A:1400 or .A:1414 or .A:1418 or .A:1438 or .A:1439 or .A:1440 or .A:1444 or .A:1445 or .A:1446 or .A:1451 or .A:1455 or .A:1456 or .A:1457 or .A:1458 or .A:1462 or .A:1463 or .A:1466 or .A:1467; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1374
3.946
LEU1398
3.422
ASP1399
3.106
SER1400
2.952
TYR1414
3.659
LEU1418
4.582
CYS1438
4.548
PRO1439
4.091
PRO1440
3.423
ASP1444
2.730
ASP1445
3.552
|
|||||
| Ligand Name: 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-1H-pyrazolo[4,3-b]pyridin-5-yl-D-prolinamide | Ligand Info | |||||
| Structure Description | Human P300 complexed with an azaindazole inhibitor | PDB:7SZQ | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [5] |
| PDB Sequence |
ENKFSAKRLP
1294 STRLGTFLEN1304 RVNDFLRRQN1314 HPESGEVTVR1324 VVHASDKTVE1334 VKPGMKARFV 1344 DSGEMAESFP1354 YRTKALFAFE1364 EIDGVDLCFF1374 GMHVQEYGSD1384 CPPPNQRRVY 1394 ISYLDSVHFF1404 RPKCLRTAVY1414 HEILIGYLEY1424 VKKLGYTTGH1434 IWACPPSEGD 1444 DYIFHCHPPD1454 QKIPKPKRLQ1464 EWFKKMLDKA1474 VSERIVHDYK1484 DIFKQATEDR 1494 LTSAKELPYF1504 EGDFWPNVLE1514 ESIKELEQED1579 LSQKLYATME1589 KHKEVFFVIR 1599 LIAGPAANSL1609 PPIVDPDPLI1619 PCDLMDGRDA1629 FLTLARDKHL1639 EFSSLRRAQW 1649 STMCMLVELH1659 TQSQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ETL or .ETL2 or .ETL3 or :3ETL;style chemicals stick;color identity;select .A:1374 or .A:1398 or .A:1399 or .A:1400 or .A:1414 or .A:1418 or .A:1438 or .A:1439 or .A:1440 or .A:1441 or .A:1442 or .A:1443 or .A:1444 or .A:1445 or .A:1446 or .A:1451 or .A:1452 or .A:1455 or .A:1456 or .A:1457 or .A:1458 or .A:1462 or .A:1463 or .A:1466; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1374
3.894
LEU1398
3.464
ASP1399
3.199
SER1400
2.623
TYR1414
3.527
LEU1418
4.695
CYS1438
4.174
PRO1439
4.528
PRO1440
3.511
SER1441
4.848
GLU1442
4.821
GLY1443
4.112
|
|||||
| Ligand Name: [(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)tetrahydrofuran-2-Yl]methyl (3r,20r)-20-Carbamoyl-3-Hydroxy-2,2-Dimethyl-4,8,14,22-Tetraoxo-12-Thia-5,9,15,21-Tetraazatricos-1-Yl Dihydrogen Diphosphate | Ligand Info | |||||
| Structure Description | Crystal structure of p300 histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA | PDB:3BIY | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [7] |
| PDB Sequence |
KFSAKRLPST
1296 RLGTFLENRV1306 NDFLRRQNHP1316 ESGEVTVRVV1326 HASDKTVEVK1336 PGMKARFVDS 1346 GEMAESFPYR1356 TKALFAFEEI1366 DGVDLCFFGM1376 HVQEYGSDCP1386 PPNQRRVYIS 1396 YLDSVHFFRP1406 KCLRTAVYHE1416 ILIGYLEYVK1426 KLGYTTGHIW1436 ACPPSEGDDY 1446 IFHCHPPDQK1456 IPKPKRLQEW1466 YKKMLDKAVS1476 ERIVHDYKDI1486 FKQATEDRLT 1496 SAKELPYFEG1506 DFWPNVLEES1516 IKESQKLYAT1587 MEKHKEVFFV1597 IRLIAGPAAN 1607 SLPPIVDPDP1617 LIPCDLMDGR1627 DAFLTLARDR1637 HLEFSSLRRA1647 QWSTGCMLVE 1657 LHTQSQD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .01K or .01K2 or .01K3 or :301K;style chemicals stick;color identity;select .A:1395 or .A:1396 or .A:1397 or .A:1398 or .A:1399 or .A:1400 or .A:1407 or .A:1410 or .A:1411 or .A:1414 or .A:1435 or .A:1436 or .A:1437 or .A:1438 or .A:1439 or .A:1440 or .A:1444 or .A:1446 or .A:1451 or .A:1455 or .A:1456 or .A:1457 or .A:1458 or .A:1459 or .A:1462 or .A:1463 or .A:1466 or .A:1467 or .A:1627; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE1395
4.325
SER1396
3.340
TYR1397
3.224
LEU1398
2.908
ASP1399
3.526
SER1400
2.617
LYS1407
4.557
ARG1410
2.891
THR1411
2.678
TYR1414
3.279
ILE1435
4.360
TRP1436
2.958
ALA1437
3.706
CYS1438
3.646
PRO1439
3.753
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: [(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)tetrahydrofuran-2-Yl]methyl (3r)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-{[3-Oxo-3-({2-[(2-Oxopropyl)thio]ethyl}amino)propyl]amino}butyl Dihydrogen Diphosphate | Ligand Info | |||||
| Structure Description | Crystal structure of p300 histone acetyltransferase domain in complex with an inhibitor, Acetonyl-Coenzyme A | PDB:4PZT | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [2] |
| PDB Sequence |
KFSAKRLPST
1296 RLGTFLENRV1306 NDFLRRQNHP1316 ESGEVTVRVV1326 HASDKTVEVK1336 PGMKARFVDS 1346 GEMAESFPYR1356 TKALFAFEEI1366 DGVDLCFFGM1376 HVQEYGSDCP1386 PPNQRRVYIS 1396 YLDSVHFFRP1406 KCLRTAVYHE1416 ILIGYLEYVK1426 KLGYTTGHIW1436 ACPPSEGDDY 1446 IFHCHPPDQK1456 IPKPKRLQEW1466 FKKMLDKAVS1476 ERIVHDYKDI1486 FKQATEDRLT 1496 SAKELPYFEG1506 DFWPNVLEES1516 IKELEQEEEE1526 RKREENTSDL1580 SQKLYATMEK 1590 HKEVFFVIRL1600 IAGPAANSLP1610 PIVDPDPLIP1620 CDLMDGRDAF1630 LTLARDKHLE 1640 FSSLRRAQWS1650 TMCMLVELHT1660 QSQD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SOP or .SOP2 or .SOP3 or :3SOP;style chemicals stick;color identity;select .A:1395 or .A:1396 or .A:1397 or .A:1398 or .A:1399 or .A:1400 or .A:1407 or .A:1410 or .A:1411 or .A:1414 or .A:1435 or .A:1436 or .A:1437 or .A:1438 or .A:1439 or .A:1440 or .A:1446 or .A:1451 or .A:1455 or .A:1456 or .A:1457 or .A:1458 or .A:1459 or .A:1462 or .A:1463 or .A:1466 or .A:1467; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE1395
4.678
SER1396
3.846
TYR1397
2.918
LEU1398
2.738
ASP1399
3.526
SER1400
2.713
LYS1407
4.505
ARG1410
2.808
THR1411
2.715
TYR1414
3.253
ILE1435
4.467
TRP1436
3.503
ALA1437
4.045
CYS1438
3.713
|
|||||
| Ligand Name: (2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 12 | PDB:6V90 | ||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | Yes | [8] |
| PDB Sequence |
MKFSAKRLPS
1295 TRLGTFLENR1305 VNDFLRRQNH1315 PESGEVTVRV1325 VHASDKTVEV1335 KPGMKARFVD 1345 SGEMAESFPY1355 RTKALFAFEE1365 IDGVDLCFFG1375 MHVQEYGSDC1385 PPPNQRRVYI 1395 SYLDSVHFFR1405 PKCLRTAVYH1415 EILIGYLEYV1425 KKLGYTTGHI1435 WACPPSEGDD 1445 YIFHCHPPDQ1455 KIPKPKRLQE1465 WYKKMLDKAV1475 SERIVHDYKD1485 IFKQATEDRL 1495 TSAKELPYFE1505 GDFWPNVLEE1515 SIKELEQKTS1557 KNKSNDLSQK1583 LYATMEKHKE 1593 VFFVIRLIAG1603 PAANSLPPIV1613 DPDPLIPCDL1623 MDGRDAFLTL1633 ARDKHLEFSS 1643 LRRAQWSTGC1653 MLVELHTQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QSD or .QSD2 or .QSD3 or :3QSD;style chemicals stick;color identity;select .A:1374 or .A:1398 or .A:1399 or .A:1400 or .A:1414 or .A:1438 or .A:1439 or .A:1440 or .A:1441 or .A:1443 or .A:1444 or .A:1445 or .A:1446 or .A:1451 or .A:1452 or .A:1453 or .A:1455 or .A:1456 or .A:1457 or .A:1458 or .A:1462 or .A:1463 or .A:1466 or .A:1467; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1374
4.825
LEU1398
3.244
ASP1399
3.098
SER1400
2.888
TYR1414
3.862
CYS1438
3.897
PRO1439
3.963
PRO1440
3.653
SER1441
4.941
GLY1443
3.526
ASP1444
3.359
ASP1445
3.908
|
|||||
| Ligand Name: (2R)-2-{[(2S)-2-(4-cyanophenyl)propyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 17 | PDB:6V8N | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [8] |
| PDB Sequence |
FSAKRLPSTR
1297 LGTFLENRVN1307 DFLRRQNHPE1317 SGEVTVRVVH1327 ASDKTVEVPG1338 MKARFVDSGE 1348 MAESFPYRTK1358 ALFAFEEIDG1368 VDLCFFGMHV1378 QEYGSDCPPP1388 NQRRVYISYL 1398 DSVHFFRPKC1408 LRTAVYHEIL1418 IGYLEYVKKL1428 GYTTGHIWAC1438 PPSEGDDYIF 1448 HCHPPDQKIP1458 KPKRLQEWYK1468 KMLDKAVSER1478 IVHDYKDIFK1488 QATEDRLTSA 1498 KELPYFEGDF1508 WPNVLEESIK1518 ELEQKTSKNK1560 SSNDLSQKLY1585 ATMEKHKEVF 1595 FVIRLIAGPA1605 ANSLPPIVDP1615 DPLIPCDLMD1625 GRDAFLTLAR1635 DKHLEFSSLR 1645 RAQWSTGCML1655 VELHTQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QS1 or .QS12 or .QS13 or :3QS1;style chemicals stick;color identity;select .A:1374 or .A:1398 or .A:1399 or .A:1400 or .A:1414 or .A:1438 or .A:1439 or .A:1440 or .A:1443 or .A:1444 or .A:1445 or .A:1446 or .A:1451 or .A:1452 or .A:1453 or .A:1455 or .A:1456 or .A:1457 or .A:1458 or .A:1462 or .A:1463 or .A:1466 or .A:1467; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1374
3.924
LEU1398
3.210
ASP1399
3.246
SER1400
2.687
TYR1414
3.700
CYS1438
3.924
PRO1439
3.974
PRO1440
3.727
GLY1443
3.410
ASP1444
3.437
ASP1445
3.859
TYR1446
3.765
|
|||||
| Ligand Name: N6-Acetyl-L-lysine | Ligand Info | |||||
| Structure Description | Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 17 | PDB:6V8N | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [8] |
| PDB Sequence |
FSAKRLPSTR
1297 LGTFLENRVN1307 DFLRRQNHPE1317 SGEVTVRVVH1327 ASDKTVEVPG1338 MKARFVDSGE 1348 MAESFPYRTK1358 ALFAFEEIDG1368 VDLCFFGMHV1378 QEYGSDCPPP1388 NQRRVYISYL 1398 DSVHFFRPKC1408 LRTAVYHEIL1418 IGYLEYVKKL1428 GYTTGHIWAC1438 PPSEGDDYIF 1448 HCHPPDQKIP1458 KPKRLQEWYK1468 KMLDKAVSER1478 IVHDYKDIFK1488 QATEDRLTSA 1498 KELPYFEGDF1508 WPNVLEESIK1518 ELEQKTSKNK1560 SSNDLSQKLY1585 ATMEKHKEVF 1595 FVIRLIAGPA1605 ANSLPPIVDP1615 DPLIPCDLMD1625 GRDAFLTLAR1635 DKHLEFSSLR 1645 RAQWSTGCML1655 VELHTQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ALY or .ALY2 or .ALY3 or :3ALY;style chemicals stick;color identity;select .A:1334 or .A:1335 or .A:1337 or .A:1338 or .A:1339 or .A:1340 or .A:1503 or .A:1505 or .A:1506 or .A:1510 or .A:1511 or .A:1514; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(2-{[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino}ethyl)benzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 1 | PDB:6V8B | ||||
| Method | X-ray diffraction | Resolution | 3.13 Å | Mutation | Yes | [8] |
| PDB Sequence |
MKFSAKRLPS
1295 TRLGTFLENR1305 VNDFLRRQNH1315 PESGEVTVRV1325 VHASDKTVEV1335 KPGMKARFVD 1345 SGEMAESFPY1355 RTKALFAFEE1365 IDGVDLCFFG1375 MHVQEYGSDC1385 PPPNQRRVYI 1395 SYLDSVHFFR1405 PKCLRTAVYH1415 EILIGYLEYV1425 KKLGYTTGHI1435 WACPPSEGDD 1445 YIFHCHPPDQ1455 KIPKPKRLQE1465 WYKKMLDKAV1475 SERIVHDYKD1485 IFKQATEDRL 1495 TSAKELPYFE1505 GDFWPNVLEE1515 SILSQKLYAT1587 MEKHKEVFFV1597 IRLIAGPAAN 1607 SLPPIVDPDP1617 LIPCDLMDGR1627 DAFLTLARDK1637 HLEFSSLRRA1647 QWSTGCMLVE 1657 LHTQSQD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QRY or .QRY2 or .QRY3 or :3QRY;style chemicals stick;color identity;select .A:1374 or .A:1398 or .A:1399 or .A:1400 or .A:1411 or .A:1414 or .A:1438 or .A:1439 or .A:1440 or .A:1444 or .A:1445 or .A:1446 or .A:1451 or .A:1455 or .A:1456 or .A:1457 or .A:1458 or .A:1462 or .A:1463 or .A:1466; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1374
4.672
LEU1398
3.051
ASP1399
2.917
SER1400
2.700
THR1411
4.520
TYR1414
3.733
CYS1438
3.540
PRO1439
4.118
PRO1440
3.500
ASP1444
4.491
|
|||||
| Ligand Name: N-(4-Fluorobenzyl)-2-((R)-5-(3-methylureido)-2',4'-dioxo-2,3-dihydrospiro[indene-1,5'-oxazolidin]-3'-yl)-N-((S)-1,1,1-trifluoropropan-2-yl)acetamide | Ligand Info | |||||
| Structure Description | The novel p300/CBP inhibitor A-485 uncovers a unique mechanism of action to target AR in castrate resistant prostate cancer | PDB:5KJ2 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [9] |
| PDB Sequence |
KFSAKRLPST
1296 RLGTFLENRV1306 NDFLRRQNHP1316 ESGEVTVRVV1326 HASDKTVEVK1336 PGMKARFVDS 1346 GEMAESFPYR1356 TKALFAFEEI1366 DGVDLCFFGM1376 HVQEYGSDCP1386 PPNQRRVYIS 1396 YLDSVHFFRP1406 KCLRTAVYHE1416 ILIGYLEYVK1426 KLGYTTGHIW1436 ACPPSEGDDY 1446 IFHCHPPDQK1456 IPKPKRLQEW1466 YKKMLDKAVS1476 ERIVHDYKDI1486 FKQATEDRLT 1496 SAKELPYFEG1506 DFWPNVLEES1516 IKELEQKTSK1526 DLSQKLYATM1588 EKHKEVFFVI 1598 RLIAGPAANS1608 LPPIVDPDPL1618 IPCDLMDGRD1628 AFLTLARDRH1638 LEFSSLRRAQ 1648 WSTGCMLVEL1658 HTQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6TF or .6TF2 or .6TF3 or :36TF;style chemicals stick;color identity;select .A:1374 or .A:1398 or .A:1399 or .A:1400 or .A:1410 or .A:1414 or .A:1418 or .A:1438 or .A:1439 or .A:1440 or .A:1444 or .A:1445 or .A:1446 or .A:1451 or .A:1452 or .A:1453 or .A:1455 or .A:1456 or .A:1457 or .A:1458 or .A:1462 or .A:1463 or .A:1466 or .A:1467; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1374
2.986
LEU1398
3.668
ASP1399
3.317
SER1400
2.938
ARG1410
4.702
TYR1414
3.361
LEU1418
3.584
CYS1438
4.684
PRO1439
3.672
PRO1440
3.068
ASP1444
4.205
ASP1445
3.953
|
|||||
| Ligand Name: P300/Cbp-IN-5 | Ligand Info | |||||
| Structure Description | Discovery of Spirohydantoins as Selective, Orally Bioavailable Inhibitors of p300/CBP Histone Acetyltransferases | PDB:7LJE | ||||
| Method | X-ray diffraction | Resolution | 2.61 Å | Mutation | No | [10] |
| PDB Sequence |
KFSAKRLPST
1296 RLGTFLENRV1306 NDFLRRQNHP1316 ESGEVTVRVV1326 HASDKTVEVK1336 PGMKARFVDS 1346 GEMAESFPYR1356 TKALFAFEEI1366 DGVDLCFFGM1376 HVQEYGSDCP1386 PPNQRRVYIS 1396 YLDSVHFFRP1406 KCLRTAVYHE1416 ILIGYLEYVK1426 KLGYTTGHIW1436 ACPPSEGDDY 1446 IFHCHPPDQK1456 IPKPKRLQEW1466 YKKMLDKAVS1476 ERIVHDYKDI1486 FKQATEDRLT 1496 SAKELPYFEG1506 DFWPNVLEES1516 IKELEQDLSQ1582 KLYATMEKHK1592 EVFFVIRLIA 1602 GPAANSLPPI1612 VDPDPLIPCD1622 LMDGRDAFLT1632 LARDRHLEFS1642 SLRRAQWSTG 1652 CMLVELHTQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Y2P or .Y2P2 or .Y2P3 or :3Y2P;style chemicals stick;color identity;select .A:1374 or .A:1398 or .A:1399 or .A:1400 or .A:1414 or .A:1418 or .A:1440 or .A:1441 or .A:1442 or .A:1443 or .A:1444 or .A:1445 or .A:1446 or .A:1447 or .A:1451 or .A:1452 or .A:1453 or .A:1454 or .A:1455 or .A:1456 or .A:1457 or .A:1458 or .A:1462 or .A:1463 or .A:1466 or .A:1467; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1374
3.386
LEU1398
3.537
ASP1399
2.661
SER1400
2.727
TYR1414
3.396
LEU1418
3.854
PRO1440
3.371
SER1441
4.044
GLU1442
3.361
GLY1443
3.208
ASP1444
3.366
ASP1445
3.947
TYR1446
3.127
|
|||||
| Ligand Name: 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-indole | Ligand Info | |||||
| Structure Description | Crystal structure of the p300 acetyltransferase domain with allosteric inhibitor CPI-090 and CoA | PDB:6PF1 | ||||
| Method | X-ray diffraction | Resolution | 2.32 Å | Mutation | Yes | [3] |
| PDB Sequence |
NLYFQGSKFS
1289 AKRLPSTRLG1299 TFLENRVNDF1309 LRRQNHPESG1319 EVTVRVVHAS1329 DKTVEVKPGM 1339 KARFVDSGEM1349 AESFPYRTKA1359 LFAFEEIDGV1369 DLCFFGMHVQ1379 EYGSDCPPPN 1389 QRRVYISYLD1399 SVHFFRPKCL1409 RTAVYHEILI1419 GYLEYVKKLG1429 YTTGHIWACP 1439 PSEGDDYIFH1449 CHPPDQKIPK1459 PKRLQEWFKK1469 MLDKAVSERI1479 VHDYKDIFKQ 1489 ATEDRLTSAK1499 ELPYFEGDFW1509 PNVLEESIKE1519 SSQKLYATME1589 KHKEVFFVIR 1599 LIAGPAANSL1609 PPIVDPDPLI1619 PCDLMDGRDA1629 FLTLARDKHL1639 EFSSLRRAQW 1649 STMCMLVELH1659 TQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OJ7 or .OJ72 or .OJ73 or :3OJ7;style chemicals stick;color identity;select .A:1394 or .A:1434 or .A:1435 or .A:1436 or .A:1486 or .A:1489 or .A:1490 or .A:1493 or .A:1495 or .A:1500 or .A:1501 or .A:1502 or .A:1504 or .A:1507 or .A:1509 or .A:1588 or .A:1595 or .A:1596 or .A:1597; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR1394
3.814
HIS1434
3.329
ILE1435
3.243
TRP1436
3.803
ILE1486
3.152
GLN1489
3.208
ALA1490
3.058
ASP1493
3.522
LEU1495
3.396
GLU1500
4.696
|
|||||
| Ligand Name: 2-(Acetamido)thiophene | Ligand Info | |||||
| Structure Description | Crystal structure of the p300 acetyltransferase domain with allosteric inhibitor CPI-076 and CoA | PDB:6PGU | ||||
| Method | X-ray diffraction | Resolution | 1.72 Å | Mutation | Yes | [3] |
| PDB Sequence |
SKFSAKRLPS
1295 TRLGTFLENR1305 VNDFLRRQNH1315 PESGEVTVRV1325 VHASDKTVEV1335 KPGMKARFVD 1345 SGEMAESFPY1355 RTKALFAFEE1365 IDGVDLCFFG1375 MHVQEYGSDC1385 PPPNQRRVYI 1395 SYLDSVHFFR1405 PKCLRTAVYH1415 EILIGYLEYV1425 KKLGYTTGHI1435 WACPPSEGDD 1445 YIFHCHPPDQ1455 KIPKPKRLQE1465 WFKKMLDKAV1475 SERIVHDYKD1485 IFKQATEDRL 1495 TSAKELPYFE1505 GDFWPNVLEE1515 SIQKLYATME1589 KHKEVFFVIR1599 LIAGPAANSL 1609 PPIVDPDPLI1619 PCDLMDGRDA1629 FLTLARDKHL1639 EFSSLRRAQW1649 STMCMLVELH 1659 TQS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OK7 or .OK72 or .OK73 or :3OK7;style chemicals stick;color identity;select .A:1394 or .A:1434 or .A:1435 or .A:1436 or .A:1486 or .A:1501 or .A:1502 or .A:1504 or .A:1507 or .A:1509 or .A:1595 or .A:1596 or .A:1597; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethan-1-one | Ligand Info | |||||
| Structure Description | Crystal structure of the p300 acetyltransferase domain with peptide-competitive inhibitor 2 | PDB:6V8K | ||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | Yes | [8] |
| PDB Sequence |
SKFSAKRLPS
1295 TRLGTFLENR1305 VNDFLRRQNH1315 PESGEVTVRV1325 VHASDKTVEV1335 KPGMKARFVD 1345 SGEMAESFPY1355 RTKALFAFEE1365 IDGVDLCFFG1375 MHVQEYGSDC1385 PPPNQRRVYI 1395 SYLDSVHFFR1405 PKCLRTAVYH1415 EILIGYLEYV1425 KKLGYTTGHI1435 WACPPSEGDD 1445 YIFHCHPPDQ1455 KIPKPKRLQE1465 WFKKMLDKAV1475 SERIVHDYKD1485 IFKQATEDRL 1495 TSAKELPYFE1505 GDFWPNVLEE1515 SIKEQKLYAT1587 MEKHKEVFFV1597 IRLIAGPAAN 1607 SLPPIVDPDP1617 LIPCDLMDGR1627 DAFLTLARDK1637 HLEFSSLRRA1647 QWSTMCMLVE 1657 LHTQS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QS4 or .QS42 or .QS43 or :3QS4;style chemicals stick;color identity;select .A:1355 or .A:1379 or .A:1394 or .A:1395 or .A:1396 or .A:1397 or .A:1436 or .A:1438 or .A:1446 or .A:1505 or .A:1506; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-acetyl-N-[(3-chlorophenyl)methyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human EP300 bound to the inhibitor XDM1 | PDB:5LPK | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [11] |
| PDB Sequence |
KKIFKPEELR
1055 QALMPTLEAL1065 YRQDPESLPF1075 RQPVDPQLLG1085 IPDYFDIVKS1095 PMDLSTIKRK 1105 LDTGQYQEPW1115 QYVDDIWLMF1125 NNAWLYNRKT1135 SRVYKYCSKL1145 SEVFEQEIDP 1155 VMQSLG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XDM or .XDM2 or .XDM3 or :3XDM;style chemicals stick;color identity;select .A:1073 or .A:1074 or .A:1075 or .A:1077 or .A:1079 or .A:1084 or .A:1086 or .A:1089 or .A:1128 or .A:1131 or .A:1132 or .A:1137 or .A:1138 or .A:1141; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-acetyl-N-[(1S,2S)-7-chloro-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human Ep300 bound to the inhibitor XDM3d | PDB:5LPM | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [11] |
| PDB Sequence |
SMIFKPEELR
1055 QALMPTLEAL1065 YRQDPESLPF1075 RQPVDPQLLG1085 IPDYFDIVKS1095 PMDLSTIKRK 1105 LDTGQYQEPW1115 QYVDDIWLMF1125 NNAWLYNRKT1135 SRVYKYCSKL1145 SEVFEQEIDP 1155 VMQSLG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .71Y or .71Y2 or .71Y3 or :371Y;style chemicals stick;color identity;select .A:1070 or .A:1073 or .A:1074 or .A:1075 or .A:1077 or .A:1078 or .A:1079 or .A:1080 or .A:1083 or .A:1084 or .A:1086 or .A:1089 or .A:1128 or .A:1131 or .A:1132 or .A:1137 or .A:1138 or .A:1141; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-acetyl-N-[(2,8-dihydroxynaphthalen-1-yl)methyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of the human bromodomain of EP300 bound to the inhibitor XDM-CBP | PDB:5NU5 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [11] |
| PDB Sequence |
SMIFKPEELR
1055 QALMPTLEAL1065 YRQDPESLPF1075 RQPVDPQLLG1085 IPDYFDIVKS1095 PMDLSTIKRK 1105 LDTGQYQEPW1115 QYVDDIWLMF1125 NNAWLYNRKT1135 SRVYKYCSKL1145 SEVFEQEIDP 1155 VMQSLG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .99E or .99E2 or .99E3 or :399E;style chemicals stick;color identity;select .A:1073 or .A:1074 or .A:1075 or .A:1077 or .A:1079 or .A:1084 or .A:1086 or .A:1089 or .A:1128 or .A:1131 or .A:1132 or .A:1137 or .A:1138 or .A:1141; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of p300 in complex with acyl-CoA variants. Nat Chem Biol. 2017 Jan;13(1):21-29. | ||||
| REF 2 | Structure of the p300 histone acetyltransferase bound to acetyl-coenzyme A and its analogues. Biochemistry. 2014 Jun 3;53(21):3415-22. | ||||
| REF 3 | Make the right measurement: Discovery of an allosteric inhibition site for p300-HAT. Struct Dyn. 2019 Oct 11;6(5):054702. | ||||
| REF 4 | Crystal structure of EP300 bromodomain in complex with a 3,5-dimethylisoxazol ligand | ||||
| REF 5 | Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening. J Med Chem. 2022 Nov 10;65(21):14391-14408. | ||||
| REF 6 | Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring. Bioorg Med Chem Lett. 2022 Jun 15;66:128726. | ||||
| REF 7 | The structural basis of protein acetylation by the p300/CBP transcriptional coactivator. Nature. 2008 Feb 14;451(7180):846-50. | ||||
| REF 8 | Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors. ChemMedChem. 2020 Jun 4;15(11):955-960. | ||||
| REF 9 | Discovery of a selective catalytic p300/CBP inhibitor that targets lineage-specific tumours. Nature. 2017 Oct 5;550(7674):128-132. | ||||
| REF 10 | Discovery of spirohydantoins as selective, orally bioavailable inhibitors of p300/CBP histone acetyltransferases. Bioorg Med Chem Lett. 2021 May 1;39:127854. | ||||
| REF 11 | Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles. Angew Chem Int Ed Engl. 2017 Oct 2;56(41):12476-12480. | ||||
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