Structure of PDB 3zim Chain A

Receptor sequence
>3zimA (length=886) Species: 9606 (Homo sapiens) [Search protein sequence]
NREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDL
NSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSPNNDKQK
YTLKINHDCVPEQVIAEAIRKKTRSMLEYQGKYILKVCGCDEYFLEKYPL
SQYKYIRSCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYSRKSLWVINS
ALRIKILCATYVNVNDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEW
LNYDIYIPDLPRAARLCLSICSHCPLAWGNINLFDYTDTLVSGKMALNLW
PVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEEHA
NWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEITEQ
EKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPE
QAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLD
NLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACG
MYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDFMD
ALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLFQN
NEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVG
LIEVVRNSHTIMQIQCKGGLKGALQFNSHTLHQWLKDKNKGEIYDAAIDL
FTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDRERVPFV
LTQDFLIVISCTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGM
PELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDA
3D structure
PDB3zim Discovery of a Potent and Isoform-Selective Targeted Covalent Inhibitor of the Lipid Kinase Pi3Kalpha
ChainA
Resolution2.85 Å
3D
structure
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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 KKR A M772 I800 D810 Y836 I848 E849 V850 V851 Q859 C862 M922 I932 D933 M626 I654 D664 Y690 I702 E703 V704 V705 Q713 C716 M776 I786 D787 PDBbind-CN: -logKd/Ki=8.17,IC50=6.8nM
BindingDB: IC50=6.8nM,EC50=10nM
Gene Ontology
Molecular Function
GO:0016301 kinase activity
Biological Process
GO:0046854 phosphatidylinositol phosphate biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3zim, PDBe:3zim, PDBj:3zim
PDBsum3zim
PubMed23360348
UniProtP42336|PK3CA_HUMAN Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Gene Name=PIK3CA)

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