Structure of PDB 6pys Chain A

Receptor sequence
>6pysA (length=890) Species: 9606 (Homo sapiens) [Search protein sequence]
NREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDL
NSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSDKQKYTL
KINHDCVPEQVIAEAIRKKTRSMYQGKYILKVCGCDEYFLEKYPLSQYKY
IRSCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYSRTSTKSLWVINSAL
RIKILCATYVNVNIDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWL
NYDIYIPDLPRAARLCLSICSVEEHCPLAWGNINLFDYTDTLVSGKMALN
LWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEE
HANWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEIT
EQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIK
PEQAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQY
LDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRA
CGMYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDF
MDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLF
QNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDC
VGLIEVVRNSHTIMQIQCKNSHTLHQWLKDKNKGEIYDAAIDLFTRSCAG
YCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHRERVPFVLTQDFL
IVISKGAQECTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMP
ELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDAHHGGW
3D structure
PDB6pys Design of selective PI3K delta inhibitors using an iterative scaffold-hopping workflow.
ChainA
Resolution2.19 Å
3D
structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
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 P5J A M772 S774 W780 I800 K802 Y836 I848 V851 T856 M922 I932 M628 S630 W636 I656 K658 Y692 I704 V707 T712 M769 I779 PDBbind-CN: -logKd/Ki=7.15,IC50=70nM
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:6pys, PDBe:6pys, PDBj:6pys
PDBsum6pys
PubMed31416665
UniProtP42336|PK3CA_HUMAN Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Gene Name=PIK3CA)

[Back to BioLiP]