4ZW1

Crystal structure of hBRD4 in complex with BL-BI06 reveals a novel synthesized inhibitor that induces Beclin1-independent/ATG5-dependent autophagic cell death in breast cancer

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	140	16759.3	1	UniProt (O60885) Pfam (PF00439)	Homo sapiens (Human)	Protein HUNK1
2	B (A)	2-(4-hydroxy-3,5-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one	non-polymer		341.4	1	Chemie (4V1)
3	C, D (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
4	E (A)	water	water		18.0	101	Chemie (HOH)

Sequence modifications

A: 44 - 168 (UniProt: O60885)

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

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	16759.3
Non-Polymers*	Number of molecules	3
	Total formula weight	465.6
All*	Total formula weight	17224.9

*Water molecules are not included.