8WYG

Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor 22

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Bromodomain-containing protein 2	polymer	136	15981.2	4	UniProt (P25440) Pfam (PF00439)	Homo sapiens (human)	O27.1.1,Really interesting new gene 3 protein
2	E, F, G, H (A, B, C, D)	2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide	non-polymer		551.6	4	Chemie (XHN)
3	I (C)	water	water		18.0	1	Chemie (HOH)

Sequence modifications

A, B, C, D: 344 - 455 (UniProt: P25440)

PDB	External Database	Details
Glu 320	-	expression tag
Gly 321	-	expression tag
Asp 322	-	expression tag
Ile 323	-	expression tag
His 324	-	expression tag
Met 325	-	expression tag
Lys 326	-	expression tag
Lys 327	-	expression tag
Gly 328	-	expression tag
His 329	-	expression tag
His 330	-	expression tag
His 331	-	expression tag
His 332	-	expression tag
His 333	-	expression tag
His 334	-	expression tag
Glu 335	-	expression tag
Asn 336	-	expression tag
Leu 337	-	expression tag
Tyr 338	-	expression tag
Phe 339	-	expression tag
Gln 340	-	expression tag
Gly 341	-	expression tag
Gly 342	-	expression tag
Ser 343	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	63924.9
Non-Polymers*	Number of molecules	4
	Total formula weight	2206.6
All*	Total formula weight	66131.5

*Water molecules are not included.