7LJE
Discovery of Spirohydantoins as Selective, Orally Bioavailable Inhibitors of p300/CBP Histone Acetyltransferases
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B, C, D | Histone acetyltransferase p300 | polymer | 348 | 40261.0 | 4 | UniProt (Q09472) Pfam (PF08214) In PDB | Homo sapiens (Human) | p300 HAT,E1A-associated protein p300,Histone butyryltransferase p300,Histone crotonyltransferase p300,Protein 2-hydroxyisobutyryltransferase p300,Protein propionyltransferase p300 |
2 | A, B, C, D | 2-[4-[(3'R,4S)-3'-fluoro-1-[2-[(4-fluorophenyl)methyl-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]amino]-2-oxo-ethyl]-2,5-dioxo-spiro[imidazolidine-4,1'-indane]-5'-yl]pyrazol-1-yl]-N-methyl-acetamide | non-polymer | 618.6 | 4 | Chemie (Y2P) | |||
3 | water | water | 18.0 | 493 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1287 - 1666 (UniProt: Q09472)
PDB | External Database | Details |
---|---|---|
- | Glu 1523 | deletion |
- | Glu 1524 | deletion |
- | Glu 1525 | deletion |
- | Glu 1526 | deletion |
- | Arg 1527 | deletion |
- | Lys 1528 | deletion |
- | Arg 1529 | deletion |
- | Glu 1530 | deletion |
- | Glu 1531 | deletion |
- | Asn 1532 | deletion |
- | Thr 1533 | deletion |
- | Ser 1534 | deletion |
- | Asn 1535 | deletion |
- | Glu 1536 | deletion |
- | Ser 1537 | deletion |
- | Thr 1538 | deletion |
- | Asp 1539 | deletion |
- | Val 1540 | deletion |
- | Thr 1541 | deletion |
- | Lys 1542 | deletion |
- | Gly 1543 | deletion |
- | Asp 1544 | deletion |
- | Ser 1545 | deletion |
- | Lys 1546 | deletion |
- | Asn 1547 | deletion |
- | Ala 1548 | deletion |
- | Lys 1549 | deletion |
- | Lys 1550 | deletion |
- | Lys 1551 | deletion |
- | Asn 1552 | deletion |
- | Asn 1553 | deletion |
- | Lys 1554 | deletion |
Arg 1637 | Lys 1637 | conflict |
Gly 1652 | Met 1652 | conflict |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 161044.0 | |
Non-Polymers* | Number of molecules | 4 |
Total formula weight | 2474.2 | |
All* | Total formula weight | 163518.2 |