5WUU

Complex structure of the first bromodomain of BRD4 with an inhibitor that containing a 2H-chromen-2-one ring

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	139	16695.2	1	UniProt (O60885) Pfam (PF00439) In PDB	Homo sapiens (Human)	Protein HUNK1
2	A	~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide	non-polymer		342.4	1	Chemie (7UU)
3		water	water		18.0	152	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	342.4
All*	Total formula weight	17037.6

*Water molecules are not included.