Structure of PDB 8exl Chain A

Receptor sequence

>8exlA (length=892) Species: 9606 (Homo sapiens)

NREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDL
NSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSDKQKYTL
KINHDCVPEQVIAEAIRKKTRSMGKYILKVCGCDEYFLEKYPLSQYKYIR
SCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYSRRTSTKSLWVINSALR
IKILCATYVNVNIIDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWL
NYDIYIPDLPRAARLCLSICSVEEHCPLAWGNINLFDYTDTLVSGKMALN
LWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEE
HANWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEIT
EQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIK
PEQAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQY
LDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRA
CGMYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDF
MDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLF
QNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDC
VGLIEVVRNSHTIMQIQCKFNSHTLHQWLKDKNKGEIYDAAIDLFTRSCA
GYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKRERVPFVLTQD
FLIVISKGAQECTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSG
MPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDAHHGGW

3D structure

• PDB: 8exl Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
• Chain: A
• Resolution: 1.989 Å

Enzymatic activity

• Enzyme Commision number: 2.7.11.1: non-specific serine/threonine protein kinase.
  2.7.1.137: phosphatidylinositol 3-kinase.
  2.7.1.153: phosphatidylinositol-4,5-bisphosphate 3-kinase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	799	A	W780 Y836 I848 V851 S854 H855 Q859 I932 D933	W636 Y692 I704 V707 S710 H711 Q715 I780 D781

Gene Ontology

Molecular Function

• GO:0016301 kinase activity

Biological Process

• GO:0046854 phosphatidylinositol phosphate biosynthetic process

External links

• PDB: RCSB:8exl, PDBe:8exl, PDBj:8exl
• PDBsum: 8exl
• PubMed: 36455032
• UniProt: P42336|PK3CA_HUMAN Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Gene Name=PIK3CA)