7MCF

CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Bromodomain-containing protein 4	polymer	128	15207.5	2	UniProt (O60885) Pfam (PF00439) In PDB	Homo sapiens (Human)	Protein HUNK1
2	A	2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol	non-polymer		532.6	2	Chemie (YX4)
3		water	water		18.0	94	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	30415.0
Non-Polymers*	Number of molecules	2
	Total formula weight	1065.2
All*	Total formula weight	31480.2

*Water molecules are not included.