9BHP

Crystal structure of KRAS G12C in a transition state mimetic complex with CYPA and RMC-7977

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (D, B)	Peptidyl-prolyl cis-trans isomerase A	polymer	166	18093.6	2	UniProt (P62937) Pfam (PF00160)	Homo sapiens (human)	PPIase A,Cyclophilin A,Cyclosporin A-binding protein,Rotamase A
2	B, D (A, C)	Isoform 2B of GTPase KRas	polymer	170	19374.9	2	UniProt (P01116) Pfam (PF00071)	Homo sapiens (human)	K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras
3	E, I (D, B)	(1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide	non-polymer		865.1	2	Chemie (ZNI)
4	F, J (A, C)	ALUMINUM FLUORIDE	non-polymer		84.0	2	Chemie (AF3)
5	G, K (A, C)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	2	Chemie (GDP)
6	H, L (A, C)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
7	M, N, O, P (D, A, B, C)	water	water		18.0	266	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Gly 0	-	expression tag

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

PDB	External Database	Details
Gly 0	-	expression tag
Cys 12	Gly 12	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	74936.9
Non-Polymers*	Number of molecules	8
	Total formula weight	2833.2
All*	Total formula weight	77770.1

*Water molecules are not included.