9PIZ

Structure of KRAS-G12C bound to 1-[(4aR,10P,13R)-10-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-11-chloro-9-fluoro-1,2,4a,5-tetrahydropyrazino[1',2':4,5][1,4]oxazino[2,3-c]quinolin-3(4H)-yl]prop-2-en-1-one (compound 15)

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 (A)	Isoform 2B of GTPase KRas	polymer	171	19462.0	1	UniProt (P01116)	Homo sapiens (human)	K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras
2	B (H)	anti-KRAS heavy chain	polymer	226	23833.6	1		synthetic construct
3	C (I)	anti-KRAS light chain	polymer	215	22878.3	1		synthetic construct
4	D (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
5	E (A)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	1	Chemie (GDP)
6	F (A)	1-[(4aR,10P,13R)-10-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-11-chloro-9-fluoro-1,2,4a,5-tetrahydropyrazino[1',2':4,5][1,4]oxazino[2,3-c]quinolin-3(4H)-yl]prop-2-en-1-one	non-polymer		538.9	1	Chemie (A1CII)
7	G, J, L, N, O... (H, I)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	7	Chemie (PEG)
8	H (H)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
9	I, M, P (H, I)	DIMETHYL SULFOXIDE	non-polymer		78.1	3	Chemie (DMS)
10	K, R (H, I)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
11	T, U, V (A, H, I)	water	water		18.0	162	Chemie (HOH)

Sequence modifications

A: 1 - 169 (UniProt: P01116)

PDB	External Database	Details
Gly -1	-	expression tag
Ser 0	-	expression tag
Cys 12	Gly 12	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	66173.8
Non-Polymers*	Number of molecules	16
	Total formula weight	2193.8
All*	Total formula weight	68367.7

*Water molecules are not included.