7OO7

KRasG12C ligand complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D	GTPase KRas	polymer	169	19223.6	2	UniProt (P01116) Pfam (PF00071) In PDB	Homo sapiens (Human)	K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras
2	A, D	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
3	A, D	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	2	Chemie (GDP)
4	A, D	1-[(6aS)-3-chloro-2-(5-methyl-1H-indazol-4-yl)-5,6,6a,7,9,10-hexahydro-8H-pyrazino[1',2':5,6][1,5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one	non-polymer		477.0	2	Chemie (VLE)
5	D	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
6		water	water		18.0	159	Chemie (HOH)

Sequence modifications

A, D: 1 - 164 (UniProt: P01116)

PDB	External Database	Details
Gly 0	-	expression tag
Cys 12	Gly 12	engineered mutation
Ser 51	Cys 51	conflict
Leu 80	Cys 80	conflict
Ser 118	Cys 118	conflict
Gly 151	Arg 151	conflict
Asp 153	Glu 153	conflict
Lys 165	-	expression tag
His 166	-	expression tag
Lys 167	-	expression tag
Glu 168	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	38447.2
Non-Polymers*	Number of molecules	7
	Total formula weight	1929.0
All*	Total formula weight	40376.2

*Water molecules are not included.