5S9O

CRYSTAL STRUCTURE OF THE HUMAN BRD2 BD1 BROMODOMAIN IN COMPLEX WITH 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-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 (A, B)	Bromodomain-containing protein 2	polymer	144	16982.6	2	UniProt (A0A140T9E9) Pfam (PF00439) UniProt (by SIFTS) (P25440)	Homo sapiens (Human)
2	C, J (A, B)	9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide	non-polymer		500.6	2	Chemie (YW1)
3	D, E, F, G, H... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	9	Chemie (EDO)
4	N, O (A, B)	water	water		18.0	95	Chemie (HOH)

Sequence modifications

A, B: 73 - 194 (UniProt: A0A140T9E9)

PDB	External Database	Details
Met 51	-	initiating methionine
Gly 52	-	expression tag
Ser 53	-	expression tag
Ser 54	-	expression tag
His 55	-	expression tag
His 56	-	expression tag
His 57	-	expression tag
His 58	-	expression tag
His 59	-	expression tag
His 60	-	expression tag
Ser 61	-	expression tag
Ser 62	-	expression tag
Gly 63	-	expression tag
Glu 64	-	expression tag
Thr 65	-	expression tag
Val 66	-	expression tag
Arg 67	-	expression tag
Phe 68	-	expression tag
Gln 69	-	expression tag
Gly 70	-	expression tag
His 71	-	expression tag
Met 72	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	33965.2
Non-Polymers*	Number of molecules	11
	Total formula weight	1559.8
All*	Total formula weight	35525.0

*Water molecules are not included.