Structure of PDB 5li1 Chain A Binding Site BS03

Receptor Information
>5li1 Chain A (length=334) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFSLGLQDFDLLRVIGRGSYAKVLLVRLKKTDRIYAMKVVKKELVNDDED
IDWVQTEKHVFEQASNHPFLVGLHSCFQTESRLFFVIEYVNGGDLMFHMQ
RQRKLPEEHARFYSAEISLALNYLHERGIIYRDLKLDNVLLDSEGHIKLT
DYGMCKEGLRPGDTTSTFCGTPNYIAPEILRGEDYGFSVDWWALGVLMFE
MMAGRSPFDITEDYLFQVILEKQIRIPRSLSVKAASVLKSFLNKDPKERL
GCHPQTGFADIQGHPFFRNVDWDMMEQKQVVPPFKPNISGEFGLDNFDSQ
FTNEPVQLTPDDDDIVRKIDQSEFEGFEYINPLL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5li1 Chain A Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5li1 aPKC Inhibition by Par3 CR3 Flanking Regions Controls Substrate Access and Underpins Apical-Junctional Polarization.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N383 D396
Binding residue
(residue number reindexed from 1)		N138 D151
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D378 K380 N383 D396 T416
Catalytic site (residue number reindexed from 1) D133 K135 N138 D151 T171
Enzyme Commision number 2.7.11.13: protein kinase C.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation
GO:0007163 establishment or maintenance of cell polarity

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Molecular Function
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Biological Process
External links
PDB RCSB:5li1, PDBe:5li1, PDBj:5li1
PDBsum5li1
PubMed27554858
UniProtP41743|KPCI_HUMAN Protein kinase C iota type (Gene Name=PRKCI)

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