8TBJ

Tricomplex of RMC-7977, KRAS G12A, and CypA

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)	GTPase KRas	polymer	170	19372.9	2	UniProt (P01116) Pfam (PF00071)	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) Pfam (PF00160)	Homo sapiens (human)	PPIase A,Cyclophilin A,Cyclosporin A-binding protein,Rotamase A
3	E, G (A, B)	PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER	non-polymer		522.2	2	Chemie (GNP)
4	F, H (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	I (B)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
6	J (C)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
7	K, L (C, 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)
8	M, N, O, P (A, B, C, D)	water	water		18.0	749	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Ser 0	-	expression tag
Ala 12	Gly 12	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	74992.9
Non-Polymers*	Number of molecules	8
	Total formula weight	2977.4
All*	Total formula weight	77970.2

*Water molecules are not included.