Structure of PDB 5lih Chain B Binding Site BS03

Receptor Information
>5lih Chain B (length=320) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LGLQDFDLLRVIGRGSYAKVLLVRLKKTDRIYAMKVVKKELVQTEKHVFE
QASNHPFLVGLHSCFQTESRLFFVIEYVNGGDLMFHMQRQRKLPEEHARF
YSAEISLALNYLHERGIIYRDLKLDNVLLDSEGHIKLTDYGMCKEGLRPG
DTTSTFCGTPNYIAPEILRGEDYGFSVDWWALGVLMFEMMAGRSPFDTED
YLFQVILEKQIRIPRSLSVKAASVLKSFLNKDPKERLGCHPQTGFADIQG
HPFFRNVDWDMMEQKQVVPPFKPNISGEFGLDNFDSQFTNEPVQLTPDDD
DIVRKIDQSEFEGFEYINPL
Ligand information
Ligand IDAF3
InChIInChI=1S/Al.3FH/h;3*1H/q+3;;;/p-3
InChIKeyKLZUFWVZNOTSEM-UHFFFAOYSA-K
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		F[Al](F)F
FormulaAl F3
NameALUMINUM FLUORIDE
ChEMBL
DrugBank
ZINC
PDB chain5lih Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5lih aPKC Inhibition by Par3 CR3 Flanking Regions Controls Substrate Access and Underpins Apical-Junctional Polarization.
Resolution3.25 Å
Binding residue
(original residue number in PDB)		R377 Y419 V434
Binding residue
(residue number reindexed from 1)		R120 Y162 V177
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D378 K380 N383 D396 T416
Catalytic site (residue number reindexed from 1) D121 K123 N126 D139 T159
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:5lih, PDBe:5lih, PDBj:5lih
PDBsum5lih
PubMed27554858
UniProtP41743|KPCI_HUMAN Protein kinase C iota type (Gene Name=PRKCI)

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