8ZMB

Crystal Structure of the first bromodomain of human BRD4 BD1 in complex with the inhibitor Y13195

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, H, L (A, B, C)	7-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-5-methyl-2-(2-phenyl-1H-imidazol-5-yl)furo[3,2-c]pyridin-4(5H)-one	non-polymer		563.6	3	Chemie (A1L0Y)
3	E, I, J (A, B)	DIMETHYL SULFOXIDE	non-polymer		78.1	3	Chemie (DMS)
4	F, G, K (A, B)	PHOSPHATE ION	non-polymer		95.0	3	Chemie (PO4)
5	M (B)	water	water		18.0	1	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	9
	Total formula weight	2210.2
All*	Total formula weight	52512.1

*Water molecules are not included.