9BGH

Crystal structure of KRAS G12D 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 (P62938) Pfam (PF00160)	Homo sapiens	PPIase A,Cyclophilin A,Cyclosporin A-binding protein,Rotamase A
2	C, D (A, C)	GTPase KRas	polymer	170	19386.8	2	UniProt (P79800) Pfam (PF00071)	Homo sapiens	K-Ras 2,Ki-Ras,K-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)
4	G, I (A, C)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	2	Chemie (GDP)
5	H, J (A, C)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
6	K (C)	ALUMINUM FLUORIDE	non-polymer		84.0	1	Chemie (AF3)
7	L, M, N, O (B, D, A, C)	water	water		18.0	485	Chemie (HOH)

Sequence modifications

B, D: 1 - 165 (UniProt: P62938)

PDB	External Database	Details
Gly 0	-	expression tag

A, C: 1 - 169 (UniProt: P79800)

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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	74960.8
Non-Polymers*	Number of molecules	7
	Total formula weight	2749.2
All*	Total formula weight	77710.0

*Water molecules are not included.