8ZMQ

Crystal Structure of the second bromodomain of human BRD4 BD2 in complex with the inhibitor Y13190

This is a non-PDB format compatible entry.

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, E... (A, B, C, D, E...)	BRD4_HUMAN	polymer	147	17113.6	20	UniProt (O60885) Pfam (PF00439)	Homo sapiens (human)	Protein HUNK1,Bromodomain-containing protein 4
2	AA, BA, CA, DA, EA... (D, E, F, G, H...)	2-(2-(adamantan-1-yl)-4-ethyl-1H-imidazol-5-yl)-7-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-5-methylfuro[3,2-c]pyridin-4(5H)-one	non-polymer		649.8	20	Chemie (A1L12)
3	LA, NA, V, W, Y (M, N, A, B)	DIMETHYL SULFOXIDE	non-polymer		78.1	5	Chemie (DMS)
4	JA (L)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	AB, BB, CB, DB, EB... (G, H, I, J, K...)	water	water		18.0	123	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T: 333 - 460 (UniProt: O60885)

PDB	External Database	Details
Met 314	-	initiating methionine
Lys 315	-	expression tag
Lys 316	-	expression tag
Gly 317	-	expression tag
His 318	-	expression tag
His 319	-	expression tag
His 320	-	expression tag
His 321	-	expression tag
His 322	-	expression tag
His 323	-	expression tag
Glu 324	-	expression tag
Asn 325	-	expression tag
Leu 326	-	expression tag
Tyr 327	-	expression tag
Phe 328	-	expression tag
Gln 329	-	expression tag
Gly 330	-	expression tag
Gly 331	-	expression tag
Ser 332	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	20
	Total formula weight	342271.7
Non-Polymers*	Number of molecules	26
	Total formula weight	13478.6
All*	Total formula weight	355750.3

*Water molecules are not included.