7Z76

Crystal structure of compound 10 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Elongin-B	polymer	104	11748.4	1	UniProt (Q15370) Pfam (PF00240) In PDB	Homo sapiens (human)	EloB,Elongin 18 kDa subunit,RNA polymerase II transcription factor SIII subunit B,SIII p18,Transcription elongation factor B polypeptide 2
2	B	Elongin-C	polymer	97	10974.6	1	UniProt (Q15369) Pfam (PF03931) In PDB	Homo sapiens (human)	EloC,Elongin 15 kDa subunit,RNA polymerase II transcription factor SIII subunit C,SIII p15,Transcription elongation factor B polypeptide 1
3	C	von Hippel-Lindau disease tumor suppressor	polymer	162	18702.3	1	UniProt (P40337) Pfam (PF01847) Pfam (PF17211) In PDB	Homo sapiens (human)	Protein G7,pVHL
4	D	Probable global transcription activator SNF2L2	polymer	123	14380.5	1	UniProt (P51531) Pfam (PF00439) In PDB	Homo sapiens (human)	ATP-dependent helicase SMARCA2,BRG1-associated factor 190B,BAF190B,Protein brahma homolog,hBRM,SNF2-alpha,SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A member 2
5	C, D	IODIDE ION	non-polymer		126.9	7	Chemie (IOD)
6	D	(2~{S},4~{R})-~{N}-[(1~{R})-2-[(2~{R})-1-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propan-2-yl]oxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{S})-2-[[1-(dimethylamino)cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide	non-polymer		1077.2	1	Chemie (IFJ)
7		water	water		18.0	672	Chemie (HOH)

Sequence modifications

B: 17 - 112 (UniProt: Q15369)

PDB	External Database	Details
Met 16	-	initiating methionine

C: 54 - 213 (UniProt: P40337)

PDB	External Database	Details
Gly 52	-	expression tag
Ser 53	-	expression tag

D: 1373 - 1493 (UniProt: P51531)

PDB	External Database	Details
Ser 1371	-	expression tag
Met 1372	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	55805.9
Non-Polymers*	Number of molecules	8
	Total formula weight	1965.5
All*	Total formula weight	57771.4

*Water molecules are not included.