9BHQ

Crystal structure of KRAS G12A 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, B (B, D)	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	C, D (A, C)	Isoform 2B of GTPase KRas	polymer	170	19342.8	2	UniProt (P01116) Pfam (PF00071)	Homo sapiens (human)	K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras
3	E, F (B, D)	(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) PubChem (164726623) PubChem (171361118)
4	G, J (A, C)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	2	Chemie (GDP) PubChem (136073927) PubChem (135398619) PubChem (135402030) PubChem (135431654) PubChem (135566337) PubChem (135760556) PubChem (136026707) PubChem (136053418) PubChem (136663964) PubChem (136664748) PubChem (136759848) PubChem (136759849) PubChem (136759850) PubChem (136836636) PubChem (136847074) PubChem (172898537)
5	H, K (A, C)	ALUMINUM FLUORIDE	non-polymer		84.0	2	Chemie (AF3) PubChem (2124)
6	I, L (A, C)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG) PubChem (888)
7	M, N, O, P (B, D, A, C)	water	water		18.0	376	Chemie (HOH)

Sequence modifications

B, D: 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
Ala 12	Gly 12	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	74872.8
Non-Polymers*	Number of molecules	8
	Total formula weight	2833.2
All*	Total formula weight	77705.9

*Water molecules are not included.