9CMV

Crystal structure of the KRAS-p110alpha complex in the presence of molecular glue D223

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 (A)	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	polymer	965	112033.4	1	UniProt (P42336) Pfam (PF00794) Pfam (PF00792) Pfam (PF00613) Pfam (PF00454)	Homo sapiens (human)	PI3-kinase subunit alpha,PI3K-alpha,PI3Kalpha,PtdIns-3-kinase subunit alpha,Phosphatidylinositol 4,5-bisphosphate 3-kinase 110 kDa catalytic subunit alpha,PtdIns-3-kinase subunit p110-alpha,p110alpha,Phosphoinositide 3-kinase alpha,Phosphoinositide-3-kinase catalytic alpha polypeptide,Serine/threonine protein kinase PIK3CA
2	B (B)	GTPase KRas	polymer	170	19328.8	1	UniProt (P01116) Pfam (PF00071)	Homo sapiens (human)	K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras
3	C (A)	tert-butyl [2-(2-{[(2P)-2-{4-[4-(2-amino-2-oxoethyl)-2-fluoroanilino]thieno[2,3-d]pyridazin-7-yl}phenyl]oxy}ethoxy)ethyl]carbamate	non-polymer		581.7	1	Chemie (A1AZD)
4	D, E (A)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
5	F, H (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
6	G (B)	PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER	non-polymer		522.2	1	Chemie (GNP)
7	I (A)	water	water		18.0	5	Chemie (HOH)

Sequence modifications

A: 105 - 1068 (UniProt: P42336)

PDB	External Database	Details
Gly 104	-	expression tag
Ala 1057	Trp 1057	engineered mutation
Ala 1058	Ile 1058	engineered mutation
Ala 1059	Phe 1059	engineered mutation

B: 1 - 169 (UniProt: P01116)

PDB	External Database	Details
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	131362.2
Non-Polymers*	Number of molecules	6
	Total formula weight	1336.7
All*	Total formula weight	132698.9

*Water molecules are not included.