9PZF

Structure of KRAS G12C bound to Compound 4

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 (A, B)	Isoform 2B of GTPase KRas	polymer	187	21378.9	2	UniProt (P01116)	Homo sapiens (human)	K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras
2	C, F (A, B)	1-(4-{(7M)-7-[6-amino-3-(trifluoromethyl)pyridin-2-yl]-6-chloroquinazolin-4-yl}piperazin-1-yl)propan-1-one	non-polymer		464.9	2	Chemie (A1CQ2)
3	D, G (A, B)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	2	Chemie (GDP)
4	E, H (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	I, J (A, B)	water	water		18.0	255	Chemie (HOH)

Sequence modifications

A, B: 2 - 169 (UniProt: P01116)

PDB	External Database	Details
Met -14	-	initiating methionine
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
Gly -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag
Cys 12	Gly 12	variant
Ser 51	Cys 51	engineered mutation
Leu 80	Cys 80	engineered mutation
Ser 118	Cys 118	engineered mutation
Gly 170	-	expression tag
Asn 171	-	expression tag
Ser 172	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	42757.8
Non-Polymers*	Number of molecules	6
	Total formula weight	1864.8
All*	Total formula weight	44622.5

*Water molecules are not included.