5VOM

Benzopiperazine BET bromodomain inhibitor in complex with BD1 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, B (A, B)	Bromodomain-containing protein 4	polymer	149	17625.0	2	UniProt (O60885) Pfam (PF00439)	Homo sapiens (Human)	Protein HUNK1
2	C, D (A, B)	3-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl]-N-methylbenzamide	non-polymer		417.5	2	Chemie (9GY)
3	E, F (A, B)	water	water		18.0	311	Chemie (HOH)

Sequence modifications

A, B: 44 - 168 (UniProt: O60885)

PDB	External Database	Details
Met 20	-	initiating methionine
His 21	-	expression tag
His 22	-	expression tag
His 23	-	expression tag
His 24	-	expression tag
His 25	-	expression tag
His 26	-	expression tag
Ser 27	-	expression tag
Ser 28	-	expression tag
Gly 29	-	expression tag
Val 30	-	expression tag
Asp 31	-	expression tag
Leu 32	-	expression tag
Gly 33	-	expression tag
Thr 34	-	expression tag
Glu 35	-	expression tag
Asn 36	-	expression tag
Leu 37	-	expression tag
Tyr 38	-	expression tag
Phe 39	-	expression tag
Gln 40	-	expression tag
Ser 41	-	expression tag
Asn 42	-	expression tag
Ala 43	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	35250.1
Non-Polymers*	Number of molecules	2
	Total formula weight	834.9
All*	Total formula weight	36085.0

*Water molecules are not included.