36JP

Tri-complex of Compound 9, KRas Q61H, 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)	Isoform 2B of GTPase KRas	polymer	170	19368.9	2	UniProt (P01116)	Homo sapiens	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)	Homo sapiens	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) PubChem (888)
5	G, J, K (A, B)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
6	L, M (C, D)	(1M,9S,13S,16S,19S,21R,25S,32M)-33-ethyl-32-{2-[(1S)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-15,29,29-trimethyl-10-(2-methylpropanoyl)-16-(propan-2-yl)-7,27-dioxa-10,15,18,21,33,39-hexaazaheptacyclo[29.5.2.1~2,6~.1~4,19~.1~21,25~.0~9,13~.0~34,38~]hentetraconta-1(36),2(41),3,5,31,34,37-heptaene-14,17,20,26-tetrone (non-preferred name)	non-polymer		1030.3	2	Chemie (A1DJP)
7	N, O, P, Q (A, B, C, D)	water	water		18.0	973	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Ser 0	-	expression tag
His 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	74984.9
Non-Polymers*	Number of molecules	9
	Total formula weight	3441.8
All*	Total formula weight	78426.7

*Water molecules are not included.