8QW6

Crystal Structure of compound 3 in complex with KRAS G12V C118S GDP 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	H, D	Elongin-B	polymer	104	11748.4	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	G, C	Elongin-C	polymer	97	10974.6	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	F, B	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	E, A	GTPase KRas	polymer	170	19354.8	2	UniProt (P01116) Pfam (PF00071) In PDB	Homo sapiens (human)	K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras
5	E, A	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	2	Chemie (GDP)
6	E, A	(2S,4R)-1-[(2S)-2-[6-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]hexanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide	non-polymer		977.3	2	Chemie (X4R)
7	E, A	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
8		water	water		18.0	48	Chemie (HOH)

Sequence modifications

G, C: 17 - 112 (UniProt: Q15369)

PDB	External Database	Details
Met 16	-	initiating methionine

F, B: 54 - 213 (UniProt: P40337)

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

E, A: 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	2889.5
All*	Total formula weight	124449.8

*Water molecules are not included.