9RK8

Crystal Structure of compound 3-mediated ternary complex of KRAS G12V C118S GDP with pVHL:ElonginC:ElonginB

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, E (A, E)	Elongin-B	polymer	104	11748.4	2	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, F (B, F)	Elongin-C	polymer	97	10974.6	2	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, G (C, G)	von Hippel-Lindau disease tumor suppressor	polymer	162	18702.3	2	UniProt (P40337) Pfam (PF01847) Pfam (PF17211)	Homo sapiens (human)	Protein G7,pVHL
4	D, H (D, H)	GTPase KRas	polymer	170	19354.8	2	UniProt (P01116) Pfam (PF00071)	Homo sapiens (human)	K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras
5	I, L (C, G)	(2~{S},4~{R})-1-[(2~{S})-2-[[1-[4-[(3~{S})-4-[4-[5-[(4~{S})-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5~{H}-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butanoyl]cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide	non-polymer		1017.3	2	Chemie (A1JH1)
6	J, M (D, H)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	2	Chemie (GDP)
7	K, N (D, H)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
8	O, P, Q (E, G, H)	water	water		18.0	4	Chemie (HOH)

Sequence modifications

B, F: 17 - 112 (UniProt: Q15369)

PDB	External Database	Details
Met 16	-	initiating methionine

C, G: 54 - 213 (UniProt: P40337)

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

D, H: 1 - 169 (UniProt: P01116)

PDB	External Database	Details
Gly 0	-	expression tag
Val 12	Gly 12	engineered mutation
Ser 118	Cys 118	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	121560.3
Non-Polymers*	Number of molecules	6
	Total formula weight	2969.6
All*	Total formula weight	124529.8

*Water molecules are not included.