Structure of PDB 4dc2 Chain A Binding Site BS02

Receptor Information
>4dc2 Chain A (length=329) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LGLQDFDLLRVIGRGSYAKVLLVRLKKTDRIYAMRVVKKELVNIDWVQTE
KHVFEQASNHPFLVGLHSCFQTESRLFFVIEYVNGGDLMFHMQRQRKLPE
EHARFYSAEISLALNYLHERGIIYRDLKLDNVLLDSEGHIKLTDYGMCKE
GLRPGDTTSTFCGTPNYIAPEILRGEDYGFSVDWWALGVLMFEMMAGRSP
FDIVGSNTEDYLFQVILEKQIRIPRSLSVKAASVLKSFLNKDPKERLGCH
PQTGFADIQGHPFFRNVDWDMMEQKQVVPPFKPNISGEFGLDNFDSQFTN
EPVQLTPDDDDIVRKIDQSEFEGFEYINP
Ligand information
Ligand IDADE
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04n1c(c2ncnc2nc1)N
FormulaC5 H5 N5
NameADENINE
ChEMBLCHEMBL226345
DrugBankDB00173
ZINCZINC000000000882
PDB chain4dc2 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4dc2 Substrate recognition mechanism of atypical protein kinase Cs revealed by the structure of PKC iota in complex with a substrate peptide from Par-3
Resolution2.4 Å
Binding residue
(original residue number in PDB)		A271 I322 V325 L375 T385 F542
Binding residue
(residue number reindexed from 1)		A33 I80 V83 L133 T143 F294
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D368 K370 N373 D386 T406
Catalytic site (residue number reindexed from 1) D126 K128 N131 D144 T164
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:0004697 diacylglycerol-dependent serine/threonine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:4dc2, PDBe:4dc2, PDBj:4dc2
PDBsum4dc2
PubMed22579248
UniProtQ62074|KPCI_MOUSE Protein kinase C iota type (Gene Name=Prkci)

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