9HYB

CRYSTAL STRUCTURE OF THE SMARCA2-VCB-COMPLEX WITH PROTAC P3

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, D, G, J (A, D, G, J)	Elongin-B	polymer	104	11748.4	4	UniProt (Q15370) Pfam (PF00240)	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, H, K (B, E, H, K)	Elongin-C	polymer	97	10974.6	4	UniProt (Q15369) Pfam (PF03931)	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, I, L (C, F, I, L)	von Hippel-Lindau disease tumor suppressor	polymer	162	18702.3	4	UniProt (P40337) Pfam (PF01847) Pfam (PF17211)	Homo sapiens (human)	Protein G7,pVHL
4	M, N, O, P (M, N, O, P)	Probable global transcription activator SNF2L2	polymer	123	14380.5	4	UniProt (P51531) Pfam (PF00439)	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	Q, R, S, T (C, F, I, L)	(2~{S},4~{R})-~{N}-[(1~{R})-2-[2-[4-[4-bromanyl-7-cyclopentyl-5-oxidanylidene-10-[[(2~{S})-oxolan-2-yl]methoxy]-6~{H}-benzimidazolo[1,2-a]quinazolin-9-yl]piperidin-1-yl]ethoxy]-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		1164.3	4	Chemie (A1IYB)
6	AA, BA, CA, DA, EA... (G, H, I, J, K...)	water	water		18.0	299	Chemie (HOH)

Sequence modifications

B, E, H, K: 17 - 112 (UniProt: Q15369)

PDB	External Database	Details
Met 16	-	initiating methionine

C, F, I, L: 54 - 213 (UniProt: P40337)

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

M, N, O, P: 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	16
	Total formula weight	223223.4
Non-Polymers*	Number of molecules	4
	Total formula weight	4657.1
All*	Total formula weight	227880.5

*Water molecules are not included.