Structure of PDB 5iti Chain A Binding Site BS01

Receptor Information
>5iti Chain A (length=238) Species: 197221 (Thermosynechococcus vestitus BP-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDVAGLTDCGLIRKSNQDAFYIDEKHQRFFIVADGMGAGGEEASRLAVDH
IRQYLETHLEDLQHDPVTLLRQAFLAANHAIVEQQRQNSARADMGTTAVV
ILLDEKGDRAWCAHVGDSRIYRWRKDQLQQITSDHTWIAQAVQLGSLTIE
QARQHPWRHVLSQCLGREDLSQIDIQPIDLEPGDRLLLCSDGLTEELTDD
VISIYLSEPNVQKAAAALVDAAKTHGGRDNVTVVVISV
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5iti Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5iti Structural and Biochemical Characterization of a Cyanobacterial PP2C Phosphatase Reveals Insights into Catalytic Mechanism and Substrate Recognition
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D34 D193 D231
Binding residue
(residue number reindexed from 1)		D34 D191 D229
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.16: protein-serine/threonine phosphatase.
Gene Ontology
Molecular Function
GO:0004722 protein serine/threonine phosphatase activity
GO:0005515 protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006470 protein dephosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:5iti, PDBe:5iti, PDBj:5iti
PDBsum5iti
PubMed
UniProtQ8DGS1

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