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	A, E (H, D)	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 (G, C)	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 (F, B)	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 (E, A)	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 (E, A)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	2	Chemie (GDP) PubChem (136073927) PubChem (135398619) PubChem (135402030) PubChem (135431654) PubChem (135566337) PubChem (135760556) PubChem (136026707) PubChem (136053418) PubChem (136663964) PubChem (136664748) PubChem (136759848) PubChem (136759849) PubChem (136759850) PubChem (136836636) PubChem (136847074) PubChem (172898537)
6	J, M (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) PubChem (168909899)
7	K, N (E, A)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG) PubChem (888)
8	O, P, Q, R, S... (H, G, F, E, C...)	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.