5S9P

CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide

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 (A, B, D, E)	Bromodomain-containing protein 4	polymer	128	15207.5	4	UniProt (O60885) Pfam (PF00439)	Homo sapiens (Human)	Protein HUNK1
2	E, F, G, I (A, B, D, E)	9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide	non-polymer		453.5	4	Chemie (YW4)
3	H, J (D, E)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
4	K, L, M, N (A, B, D, E)	water	water		18.0	141	Chemie (HOH)

Sequence modifications

A, B, D, E: 44 - 168 (UniProt: O60885)

PDB	External Database	Details
Gly 41	-	expression tag
His 42	-	expression tag
Met 43	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	60830.0
Non-Polymers*	Number of molecules	6
	Total formula weight	1938.3
All*	Total formula weight	62768.3

*Water molecules are not included.