5W0I

CREBBP Bromodomain in complex with Cpd8 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	CREB-binding protein	polymer	148	17630.0	1	UniProt (P45481) Pfam (PF00439)	Mus musculus (Mouse)
2	B (A)	1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one	non-polymer		496.6	1	Chemie (9UA)
3	C, D (A)	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS)
4	E (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	F (A)	water	water		18.0	147	Chemie (HOH)

Sequence modifications

A: 1082 - 1197 (UniProt: P45481)

PDB	External Database	Details
Met 1050	-	initiating methionine
His 1051	-	expression tag
His 1052	-	expression tag
His 1053	-	expression tag
His 1054	-	expression tag
His 1055	-	expression tag
His 1056	-	expression tag
Gly 1057	-	expression tag
Ser 1058	-	expression tag
Leu 1059	-	expression tag
Val 1060	-	expression tag
Pro 1061	-	expression tag
Arg 1062	-	expression tag
Gly 1063	-	expression tag
Ser 1064	-	expression tag
Met 1065	-	expression tag
Asp 1066	-	expression tag
Tyr 1067	-	expression tag
Lys 1068	-	expression tag
Asp 1069	-	expression tag
Asp 1070	-	expression tag
Asp 1071	-	expression tag
Asp 1072	-	expression tag
Lys 1073	-	expression tag
Glu 1074	-	expression tag
Asn 1075	-	expression tag
Leu 1076	-	expression tag
Tyr 1077	-	expression tag
Phe 1078	-	expression tag
Gln 1079	-	expression tag
Gly 1080	-	expression tag
Ser 1081	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	17630.0
Non-Polymers*	Number of molecules	4
	Total formula weight	744.9
All*	Total formula weight	18374.9

*Water molecules are not included.