8ZM8

Crystal Structure of the first bromodomain of human BRD4 BD1 in complex with the inhibitor Y13221

This is a non-PDB format compatible entry.

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 (A, B, C)	BRD4_HUMAN	polymer	141	16767.3	3	UniProt (O60885) Pfam (PF00439)	Homo sapiens (human)	Protein HUNK1
2	D, E, F (A, B, C)	2-[2-ethyl-4-(methoxymethyl)-1~{H}-imidazol-5-yl]-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one	non-polymer		559.6	3	Chemie (A1L1X)
3	G (C)	water	water		18.0	2	Chemie (HOH)

Sequence modifications

A, B, C: 44 - 168 (UniProt: O60885)

PDB	External Database	Details
Met 28	-	expression tag
Lys 29	-	expression tag
Lys 30	-	expression tag
Gly 31	-	expression tag
His 32	-	expression tag
His 33	-	expression tag
His 34	-	expression tag
His 35	-	expression tag
His 36	-	expression tag
His 37	-	expression tag
Leu 38	-	expression tag
Val 39	-	expression tag
Pro 40	-	expression tag
Arg 41	-	expression tag
Gly 42	-	expression tag
Ser 43	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	50302.0
Non-Polymers*	Number of molecules	3
	Total formula weight	1678.9
All*	Total formula weight	51980.9

*Water molecules are not included.