Structure of PDB 8bfs Chain A Binding Site BS01

Receptor Information
>8bfs Chain A (length=274) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WKKQAEDIKKIFEFKETLGTGAFSEVVLAEEKATGKLFAVKCIPKKALKG
KESSIENEIAVLRKIKHENIVALEDIYESPNHLYLVMQLVSGGELFDRIV
EKGFYTEKDASTLIRQVLDAVYYLHRMGIVHRDLKPENLLYYSQDEESKI
MISDFGPGYVAPEVLAQKPYSKAVDCWSIGVIAYILLCGYPPFYDENDSK
LFEQILKAEYEFDSPYWDDISDSAKDFIRNLMEKDPNKRYTCEQAARHPW
IAGDTALNKNIHESVSAQIRKNFA
Ligand information
Ligand IDQNR
InChIInChI=1S/C11H9N3/c12-10-8-4-2-1-3-7(8)9-5-6-13-11(9)14-10/h1-6H,(H3,12,13,14)
InChIKeyOEJVERPJEZHNRW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccc2c(c1)c3cc[nH]c3nc2N
CACTVS 3.385Nc1nc2[nH]ccc2c3ccccc13
FormulaC11 H9 N3
Name3~{H}-pyrrolo[2,3-c]isoquinolin-5-amine
ChEMBL
DrugBank
ZINC
PDB chain8bfs Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bfs Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ326
Resolution1.95 Å
Binding residue
(original residue number in PDB)		L29 A50 V82 M98 Q99 L100 V101 S164
Binding residue
(residue number reindexed from 1)		L18 A39 V71 M87 Q88 L89 V90 S153
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.17: calcium/calmodulin-dependent protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0004683 calcium/calmodulin-dependent protein kinase activity
GO:0005515 protein binding
GO:0005516 calmodulin binding
GO:0005524 ATP binding
GO:0106310 protein serine kinase activity
Biological Process
GO:0006468 protein phosphorylation
GO:0006954 inflammatory response
GO:0007399 nervous system development
GO:0010976 positive regulation of neuron projection development
GO:0016310 phosphorylation
GO:0032793 positive regulation of CREB transcription factor activity
GO:0043065 positive regulation of apoptotic process
GO:0043066 negative regulation of apoptotic process
GO:0050766 positive regulation of phagocytosis
GO:0050773 regulation of dendrite development
GO:0060267 positive regulation of respiratory burst
GO:0071622 regulation of granulocyte chemotaxis
GO:0090023 positive regulation of neutrophil chemotaxis
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8bfs, PDBe:8bfs, PDBj:8bfs
PDBsum8bfs
PubMed
UniProtQ8IU85|KCC1D_HUMAN Calcium/calmodulin-dependent protein kinase type 1D (Gene Name=CAMK1D)

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