10NV

Structure of kRas G12C Bound to Inhibitor 13ba

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, G (A, B)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	2	Chemie (GDP)
3	D, H (A, B)	4-((2S,5R)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-7-(1,6-dimethyl-1H-indazol-7-yl)-8-fluoro-2-(((S)-1-methylpyrrolidin-2-yl)methoxy)quinazoline-6-carbonitrile	non-polymer		598.7	2	Chemie (A1C60)
4	E, F, I (A, B)	CALCIUM ION	non-polymer		40.1	3	Chemie (CA) PubChem (271)
5	J, K (A, B)	water	water		18.0	225	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	7
	Total formula weight	2204.1
All*	Total formula weight	40909.6

*Water molecules are not included.