5CRZ

Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Bromodomain-containing protein 4	polymer	141	16767.3	1	UniProt (O60885) Pfam (PF00439) In PDB	Homo sapiens (Human)	Protein HUNK1
2	A	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
3	A	NITRATE ION	non-polymer		62.0	1	Chemie (NO3)
4	A	2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide	non-polymer		404.8	1	Chemie (EB7)
5	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6		water	water		18.0	34	Chemie (HOH)

Sequence modifications

A: 44 - 168 (UniProt: O60885)

PDB	External Database	Details
Met 28	-	initiating methionine
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	1
	Total formula weight	16767.3
Non-Polymers*	Number of molecules	5
	Total formula weight	683.1
All*	Total formula weight	17450.4

*Water molecules are not included.