8CNA

Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	histone acetyltransferase	polymer	640	74998.3	1	UniProt (F8VPR5) Pfam (PF00439) Pfam (PF06001) Pfam (PF08214) Pfam (PF00569) UniProt (by SIFTS) (P45481)	Mus musculus (house mouse)
2	B, C, D, E (A)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	F (A)	[(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	non-polymer		994.8	1	Chemie (01K)

Sequence modifications

A: 1081 - 1555 (UniProt: F8VPR5)

PDB	External Database	Details
His 1054	-	expression tag
His 1055	-	expression tag
His 1056	-	expression tag
His 1057	-	expression tag
His 1058	-	expression tag
His 1059	-	expression tag
Asp 1060	-	expression tag
Tyr 1061	-	expression tag
Asp 1062	-	expression tag
Ile 1063	-	expression tag
Pro 1064	-	expression tag
Thr 1065	-	expression tag
Thr 1066	-	expression tag
Glu 1067	-	expression tag
Asn 1068	-	expression tag
Leu 1069	-	expression tag
Tyr 1070	-	expression tag
Phe 1071	-	expression tag
Gln 1072	-	expression tag
Gly 1073	-	expression tag
Ala 1074	-	expression tag
Met 1075	-	expression tag
Gly 1076	-	expression tag
Ser 1077	-	expression tag
Ser 1078	-	expression tag
Gln 1079	-	expression tag
Pro 1080	-	expression tag
Cys 1446	Arg 1447	engineered mutation
Phe 1503	Tyr 1504	conflict

A: 1618 - 1750 (UniProt: F8VPR5)

PDB	External Database	Details
Ser 1613	-	linker
Gly 1614	-	linker
Gly 1615	-	linker
Ser 1616	-	linker
Gly 1617	-	linker

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	74998.3
Non-Polymers*	Number of molecules	5
	Total formula weight	1256.4
All*	Total formula weight	76254.8

*Water molecules are not included.