37ZC

Tri-complex of Compound 2, KRas WT, 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, C (B, C)	Isoform 2B of GTPase KRas	polymer	170	19336.7	2	UniProt (P01116)	Homo sapiens (human)	K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras
2	B, D (D, E)	Peptidyl-prolyl cis-trans isomerase A	polymer	166	18107.5	2	UniProt (P62937)	Homo sapiens (human)	PPIase A,Cyclophilin A,Cyclosporin A-binding protein,Rotamase A
3	E, I (B, C)	PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER	non-polymer		522.2	2	Chemie (GNP)
4	F, J (B, C)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG) PubChem (888)
5	G, K (B, C)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL) PubChem (312)
6	H, L (D, E)	(1M,9S,13S,16S,19S,21S,25S,32M)-33-ethyl-32-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-15,29,29-trimethyl-16-(propan-2-yl)-10-(prop-2-enoyl)-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		916.1	2	Chemie (A1DJN)
7	M, N, O, P (B, D, C, E)	water	water		18.0	762	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Ser 0	-	expression tag
Ser 51	Cys 51	conflict
Leu 80	Cys 80	conflict
Ser 118	Cys 118	conflict

D, E: 1 - 165 (UniProt: P62937)

PDB	External Database	Details
Ser 0	-	expression tag
Ser 52	Cys 52	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	74888.5
Non-Polymers*	Number of molecules	8
	Total formula weight	2996.1
All*	Total formula weight	77884.6

*Water molecules are not included.