5KJ2

The novel p300/CBP inhibitor A-485 uncovers a unique mechanism of action to target AR in castrate resistant prostate cancer

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Histone acetyltransferase p300	polymer	348	40261.0	1	UniProt (Q09472) Pfam (PF08214) In PDB	Homo sapiens (Human)	p300 HAT,E1A-associated protein p300
2	A	N-[(4-fluorophenyl)methyl]-2-{(1R)-5-[(methylcarbamoyl)amino]-2',4'-dioxo-2,3-dihydro-3'H-spiro[indene-1,5'-[1,3]oxazolidin]-3'-yl}-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide	non-polymer		536.5	1	Chemie (6TF)
3	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
4		water	water		18.0	259	Chemie (HOH)

Sequence modifications

A: 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	engineered mutation
Gly 1652	Met 1652	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	40261.0
Non-Polymers*	Number of molecules	2
	Total formula weight	559.5
All*	Total formula weight	40820.5

*Water molecules are not included.