4LV6

Crystal Structure of small molecule disulfide 4 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	GTPase KRas	polymer	170	19352.8	2	UniProt (P01116) Pfam (PF00071) In PDB	Homo sapiens (human)	K-Ras 2, Ki-Ras, c-K-ras, c-Ki-ras, GTPase KRas, N-terminally processed
2	A, B	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
3	A, B	1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide	non-polymer		391.3	2	Chemie (20H)
4	A, B	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	2	Chemie (GDP)
5		water	water		18.0	247	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	38705.6
Non-Polymers*	Number of molecules	8
	Total formula weight	1829.3
All*	Total formula weight	40534.9

*Water molecules are not included.