9BG8

Tri-complex of Daraxonrasib (RMC-6236), NRAS Q61R, 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)	GTPase NRas	polymer	170	19330.9	2	UniProt (P01111) Pfam (PF00071)	Homo sapiens (human)	Transforming protein N-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, H (A, B)	PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER	non-polymer		522.2	2	Chemie (GNP)
4	F, I (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	G, J (A, B)	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		209.2	2	Chemie (BTB)
6	K, L (C, D)	(1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-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]-2-methylcyclopropane-1-carboxamide	non-polymer		811.0	2	Chemie (A1AHB)
7	M, N, O, P (A, B, C, D)	water	water		18.0	972	Chemie (HOH)

Sequence modifications

A, B: 1 - 169 (UniProt: P01111)

PDB	External Database	Details
Ser 0	-	expression tag
Arg 61	Gln 61	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	74909.0
Non-Polymers*	Number of molecules	8
	Total formula weight	3133.6
All*	Total formula weight	78042.6

*Water molecules are not included.