8G1P

Co-crystal structure of Compound 11 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, D	Elongin-B	polymer	118	13147.8	2	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, E	Elongin-C	polymer	112	12485.1	2	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, F	von Hippel-Lindau disease tumor suppressor	polymer	162	18702.3	2	UniProt (P40337) Pfam (PF01847) Pfam (PF17211) In PDB	Homo sapiens (human)	Protein G7,pVHL
4	G, H	Probable global transcription activator SNF2L2	polymer	123	14380.5	2	UniProt (B4DNT1) Pfam (PF00439) UniProt (by SIFTS) (P51531) In PDB	Homo sapiens (human)	cDNA FLJ61143,highly similar to Probable global transcription activator SNF2L2
5	A, H	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6	C, F	(2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide	non-polymer		920.1	2	Chemie (FWZ)
7		water	water		18.0	193	Chemie (HOH)

Sequence modifications

C, F: 56 - 213 (UniProt: P40337)

PDB	External Database	Details
Gly 52	-	expression tag
Ser 53	-	expression tag
Met 54	-	expression tag
Glu 55	-	expression tag

G, H: 1373 - 1493 (UniProt: B4DNT1)

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

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	117431.5
Non-Polymers*	Number of molecules	4
	Total formula weight	2024.4
All*	Total formula weight	119455.9

*Water molecules are not included.