5F2E

Crystal Structure of small molecule ARS-853 covalently bound to K-Ras G12C

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	GTPase KRas	polymer	170	19352.8	1	UniProt (P01116) Pfam (PF00071) In PDB	Homo sapiens (Human)	K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras
2	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
3	A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
4	A	1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one	non-polymer		432.9	1	Chemie (5UT)
5	A	GLYCINE	non-polymer		75.1	1	Chemie (GLY)
6	A	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	1	Chemie (GDP)
7		water	water		18.0	179	Chemie (HOH)

Sequence modifications

A: 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
Gly 151	Arg 151	engineered mutation
Asp 153	Glu 153	engineered mutation
Lys 165	Gln 165	engineered mutation
His 166	Tyr 166	engineered mutation
Lys 167	Arg 167	engineered mutation
Glu 168	Leu 168	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	19352.8
Non-Polymers*	Number of molecules	6
	Total formula weight	1159.7
All*	Total formula weight	20512.5

*Water molecules are not included.