10NU

Structure of kRas G12C bound to Inhibitor 13ab

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)	GTPase KRas	polymer	170	19352.8	2	UniProt (P01116) Pfam (PF00071)	Homo sapiens (human)	K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras
2	C, D, H, I (A, B)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA) PubChem (271)
3	E, J (A, B)	1-((2R,5S)-4-((S)-6-chloro-7-(1,6-dimethyl-1H-indazol-7-yl)-8-fluoro-2-(((S)-1-methylpyrrolidin-2-yl)methoxy)quinazolin-4-yl)-2,5-dimethylpiperazin-1-yl)prop-2-en-1-one	non-polymer		608.1	2	Chemie (A1C6Y)
4	F, K (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL) PubChem (753)
5	G, L (A, B)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	2	Chemie (GDP)
6	M, N (A, B)	water	water		18.0	270	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Gly 0	-	expression tag
Cys 12	Gly 12	engineered mutation
Ser 51	Cys 51	engineered mutation
Leu 80	Cys 80	engineered mutation
Ser 118	Cys 118	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	38705.6
Non-Polymers*	Number of molecules	10
	Total formula weight	2447.2
All*	Total formula weight	41152.8

*Water molecules are not included.