9YF2

Crystal structure of PI3Ka H1047R mutant in complex with PRT7140 in allosteric pocket

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	1068	124464.0	1	UniProt (P42336)	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 (C)	Phosphatidylinositol 3-kinase regulatory subunit alpha	polymer	261	31537.4	1	UniProt (P27986)	Homo sapiens (human)	PI3-kinase regulatory subunit alpha,PI3K regulatory subunit alpha,PtdIns-3-kinase regulatory subunit alpha,Phosphatidylinositol 3-kinase 85 kDa regulatory subunit alpha,PI3-kinase subunit p85-alpha,PtdIns-3-kinase regulatory subunit p85-alpha
3	C (A)	2-({(1R)-1-[2-(1,3-dihydro-2H-isoindol-2-yl)-6-methyl-3-(oxan-4-yl)-4-oxo-3,4-dihydroquinazolin-8-yl]ethyl}amino)benzoic acid	non-polymer		524.6	1	Chemie (A1CV8)
4	D (A)	N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide	non-polymer		407.4	1	Chemie (X3N) PubChem (124173720)

Sequence modifications

A: 1 - 1068 (UniProt: P42336)

PDB	External Database	Details
Arg 1047	His 1047	variant

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	156001.5
Non-Polymers*	Number of molecules	2
	Total formula weight	932.0
All*	Total formula weight	156933.5

*Water molecules are not included.