7XHE

Crystal structure of CBP bromodomain liganded with CCS151

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	CREB-binding protein	polymer	133	15891.3	2	UniProt (Q92793) Pfam (PF00439)	Homo sapiens (human)
2	C, E (A, B)	(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one	non-polymer		581.7	2	Chemie (JHF)
3	D (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
4	F, G (A, B)	water	water		18.0	163	Chemie (HOH)

Sequence modifications

A, B: 1081 - 1197 (UniProt: Q92793)

PDB	External Database	Details
Met 1065	-	expression tag
Lys 1066	-	expression tag
Lys 1067	-	expression tag
Gly 1068	-	expression tag
His 1069	-	expression tag
His 1070	-	expression tag
His 1071	-	expression tag
His 1072	-	expression tag
His 1073	-	expression tag
His 1074	-	expression tag
Leu 1075	-	expression tag
Val 1076	-	expression tag
Pro 1077	-	expression tag
Arg 1078	-	expression tag
Gly 1079	-	expression tag
Ser 1080	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	31782.6
Non-Polymers*	Number of molecules	3
	Total formula weight	1225.4
All*	Total formula weight	33008.0

*Water molecules are not included.