7KHL

BRD4-BD1 Compound6 (methyl 4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxylate)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Bromodomain-containing protein 4	polymer	149	17625.0	2	UniProt (O60885) Pfam (PF00439) In PDB	Homo sapiens (Human)	Protein HUNK1
2	A	methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate	non-polymer		514.5	1	Chemie (WEM)
3	B	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4		water	water		18.0	382	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	606.6
All*	Total formula weight	35856.7

*Water molecules are not included.