9U50

GDP-bound KRAS G12V in complex with MCB-294

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, B, C (A, B, C)	Isoform 2B of GTPase KRas	polymer	175	19698.2	3	UniProt (P01116) Pfam (PF00071)	Homo sapiens (human)	K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras
2	D, G, J (A, B, C)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG) PubChem (888)
3	E, H, K (A, B, C)	(3~{R})-1-[2-[[(8~{S})-6-[bis(fluoranyl)methylidene]-2,3,5,7-tetrahydro-1~{H}-pyrrolizin-8-yl]methoxy]-7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-pyrido[4,3-d]pyrimidin-4-yl]-3-methyl-piperidin-3-ol	non-polymer		633.6	3	Chemie (A1EN3) PubChem (176468866)
4	F, I, L (A, B, C)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	3	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)
5	M, N, O (A, B, C)	water	water		18.0	171	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 169 (UniProt: P01116)

PDB	External Database	Details
Gly -5	-	expression tag
Ala -4	-	expression tag
Gly -3	-	expression tag
Ala -2	-	expression tag
Gly -1	-	expression tag
Ala 0	-	expression tag
Val 12	Gly 12	variant

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	59094.7
Non-Polymers*	Number of molecules	9
	Total formula weight	3303.4
All*	Total formula weight	62398.1

*Water molecules are not included.