4LYH

Crystal Structure of small molecule vinylsulfonamide 9 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, B, C (A, B, C)	GTPase KRas	polymer	170	19352.8	3	UniProt (P01116) Pfam (PF00071)	Homo sapiens (human)	K-Ras 2, Ki-Ras, c-K-ras, c-Ki-ras, GTPase KRas, N-terminally processed
2	D, H (A, C)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
3	E, G, J (A, B, C)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	3	Chemie (GDP)
4	F, I (B, C)	N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide	non-polymer		515.8	2	Chemie (21F)
5	K, L, M (A, B, C)	water	water		18.0	389	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Gly 0	-	expression tag
Cys 12	Gly 12	variant
Ser 51	Cys 51	engineered mutation
Leu 80	Cys 80	engineered mutation
Ser 118	Cys 118	engineered mutation
Gly 151	Arg 151	SEE REMARK 999
Asp 153	Glu 153	SEE REMARK 999
Lys 165	Gln 165	SEE REMARK 999
His 166	Tyr 166	SEE REMARK 999
Lys 167	Arg 167	SEE REMARK 999
Glu 168	Leu 168	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	58058.4
Non-Polymers*	Number of molecules	7
	Total formula weight	2553.3
All*	Total formula weight	60611.7

*Water molecules are not included.