6ZCI

Crystal structure of BRD4-BD1 in complex with NVS-BET-1

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	148	17571.1	1	UniProt (O60885) Pfam (PF00439)	Homo sapiens (Human)	Protein HUNK1
2	B (A)	(4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one	non-polymer		408.9	1	Chemie (QFN)
3	C (A)	water	water		18.0	104	Chemie (HOH)

Sequence modifications

A: 44 - 168 (UniProt: O60885)

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

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	17571.1
Non-Polymers*	Number of molecules	1
	Total formula weight	408.9
All*	Total formula weight	17979.9

*Water molecules are not included.