36OK

Tri-complex of RMC-8839, KRAS G13C, and CypA

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, B (A, B)	Isoform 2B of GTPase KRas	polymer	170	19404.9	2	UniProt (P01116)	Homo sapiens (human)	K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras
2	C, D (C, D)	Peptidyl-prolyl cis-trans isomerase A	polymer	166	18123.6	2	UniProt (P62937)	Homo sapiens (human)	PPIase A,Cyclophilin A,Cyclosporin A-binding protein,Rotamase A
3	E, I (A, B)	PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER	non-polymer		522.2	2	Chemie (GNP)
4	F, K (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG) PubChem (888)
5	G, L (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL) PubChem (312)
6	H, M (A, B)	(4S)-N-[(2S)-1-{[(1P,6S,8S,10R,14S,21M)-21-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-22-(2,2,2-trifluoroethyl)-16-oxa-6,10,22,28-tetraazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2,20,23,26-pentaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N,4-dimethyl-3-propanoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (non-preferred name)	non-polymer		1034.2	2	Chemie (A1DKY)
7	J (B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG) PubChem (8117)
8	N, O, P, Q (A, B, C, D)	water	water		18.0	939	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Ser 0	-	expression tag
Cys 13	Gly 13	engineered mutation

C, D: 1 - 165 (UniProt: P62937)

PDB	External Database	Details
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	75057.0
Non-Polymers*	Number of molecules	9
	Total formula weight	3338.5
All*	Total formula weight	78395.5

*Water molecules are not included.