5H21

Trimethoxy-ring inhibitor in complex with the first bromodomain of BRD4

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Bromodomain-containing protein 4	polymer	139	16695.2	1	UniProt (O60885) Pfam (PF00439)	Homo sapiens (Human)	Protein HUNK1
2	B (A)	3,4,5-trimethoxy-~{N}-(2-thiophen-2-ylethyl)benzamide	non-polymer		321.4	1	Chemie (RMR)
3	C (A)	water	water		18.0	157	Chemie (HOH)

Sequence modifications

A: 44 - 167 (UniProt: O60885)

PDB	External Database	Details
Met 29	-	expression tag
Gly 30	-	expression tag
His 31	-	expression tag
His 32	-	expression tag
His 33	-	expression tag
His 34	-	expression tag
His 35	-	expression tag
His 36	-	expression tag
Glu 37	-	expression tag
Asn 38	-	expression tag
Leu 39	-	expression tag
Tyr 40	-	expression tag
Phe 41	-	expression tag
Gln 42	-	expression tag
Met 43	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	16695.2
Non-Polymers*	Number of molecules	1
	Total formula weight	321.4
All*	Total formula weight	17016.6

*Water molecules are not included.