Structure of PDB 8c2z Chain A Binding Site BS02

Receptor Information
>8c2z 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]
LNHGYDDDNHDYIVRSGERWLERYEIDSLIGKGSFGQVVKAYDHQTQELV
AIKIIKNKKAFLNQAQIELRLLELMNQHDTEMKYYIVHLKRHFMFRNHLC
LVFELLSYNLYDLLRNTHFRGVSLNLTRKLAQQLCTALLFLATPELSIIH
CDLKPENILLCNPKRSAIKIVDFGSSCQLGQRIYQYIQSRFYRSPEVLLG
TPYDLAIDMWSLGCILVEMHTGEPLFSGSNEVDQMNRIVEVLGIPPAAML
DQAPKARKYFERLPGGGWTLRRTKELRKDYQGPGTRRLQEVLGVGHSPAD
YLRFQDLVLRMLEYEPAARISPLGALQHGFFRRT
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain8c2z Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8c2z Structural perspective on the design of selective DYRK1B inhibitors
Resolution1.91 Å
Binding residue
(original residue number in PDB)
D239 D259
Binding residue
(residue number reindexed from 1)
D152 D172
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.12.1: dual-specificity kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004712 protein serine/threonine/tyrosine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation
GO:0046777 protein autophosphorylation

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Molecular Function

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Biological Process
External links
PDB RCSB:8c2z, PDBe:8c2z, PDBj:8c2z
PDBsum8c2z
PubMed
UniProtQ9Y463|DYR1B_HUMAN Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Gene Name=DYRK1B)

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