5VZS

BRD4-BD1 in complex with Cpd19 (3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide)

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	157	18707.2	2	UniProt (O60885) Pfam (PF00439) In PDB	Homo sapiens (Human)	Protein HUNK1
2	A, B	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
3	A, B	3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide	non-polymer		525.6	2	Chemie (9U4)
4		water	water		18.0	142	Chemie (HOH)

Sequence modifications

A, B: 42 - 168 (UniProt: O60885)

PDB	External Database	Details
Met 12	-	initiating methionine
His 13	-	expression tag
His 14	-	expression tag
His 15	-	expression tag
His 16	-	expression tag
His 17	-	expression tag
His 18	-	expression tag
Gly 19	-	expression tag
Ser 20	-	expression tag
Leu 21	-	expression tag
Val 22	-	expression tag
Pro 23	-	expression tag
Arg 24	-	expression tag
Gly 25	-	expression tag
Ser 26	-	expression tag
Met 27	-	expression tag
Asp 28	-	expression tag
Tyr 29	-	expression tag
Lys 30	-	expression tag
Asp 31	-	expression tag
Asp 32	-	expression tag
Asp 33	-	expression tag
Asp 34	-	expression tag
Lys 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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	37414.5
Non-Polymers*	Number of molecules	5
	Total formula weight	1237.4
All*	Total formula weight	38651.9

*Water molecules are not included.