8Z69

Crystal Structure of the second bromodomain of human BRD2 BD2 in complex with the inhibitor Y13195

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 (A, B, C, D)	BRD2_HUMAN	polymer	136	15981.2	4	UniProt (P25440) Pfam (PF00439)	Homo sapiens (human)	O27.1.1,Really interesting new gene 3 protein
2	E, I, O, V (A, B, C, D)	7-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-5-methyl-2-(2-phenyl-1H-imidazol-5-yl)furo[3,2-c]pyridin-4(5H)-one	non-polymer		563.6	4	Chemie (A1L0Y)
3	EA, F, G, H, M... (D, A, C)	FORMIC ACID	non-polymer		46.0	10	Chemie (FMT)
4	J, P, Q, R (B, C)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
5	BA, CA, DA, K, L... (D, B, C)	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)
6	FA, U (D, C)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
7	AA (D)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
8	GA, HA, IA, JA (A, B, C, D)	water	water		18.0	394	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	28
	Total formula weight	3669.7
All*	Total formula weight	67594.5

*Water molecules are not included.