9L61

Crystal Structure of BRD2 BD2 domain in complex with small molecule inhibitor Mivebresib ABBV-075

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	129	15029.1	2	UniProt (P25440) Pfam (PF00439)	Homo sapiens (human)	O27.1.1
2	C, D (A, B)	N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide	non-polymer		459.5	2	Chemie (8NG)
3	E, F (A, B)	water	water		18.0	152	Chemie (HOH)

Sequence modifications

A, B: 347 - 455 (UniProt: P25440)

PDB	External Database	Details
Met 327	-	initiating methionine
Gly 328	-	expression tag
Ser 329	-	expression tag
Ser 330	-	expression tag
His 331	-	expression tag
His 332	-	expression tag
His 333	-	expression tag
His 334	-	expression tag
His 335	-	expression tag
His 336	-	expression tag
Ser 337	-	expression tag
Ser 338	-	expression tag
Gly 339	-	expression tag
Leu 340	-	expression tag
Val 341	-	expression tag
Pro 342	-	expression tag
Arg 343	-	expression tag
Gly 344	-	expression tag
Ser 345	-	expression tag
His 346	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	30058.2
Non-Polymers*	Number of molecules	2
	Total formula weight	918.9
All*	Total formula weight	30977.2

*Water molecules are not included.