Structure of PDB 5o25 Chain B Binding Site BS01

Receptor Information
>5o25 Chain B (length=323) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSGMDEIVKVLSQHDRILVVGHIMPDGDCVSSVLSLTLGLEKLGKEVKAA
VDYKIPYVFEKFPYIDKIEENPNFDPELLVVVDASSPDRIGKFQDLLDKV
PSVVIDHHSTNTNFGNWNWVDPSFAATAQMIFRINKALGVEYDSNLATLN
YLGIATDTGFFRHSNADVRVFEDAYKLVKMGADAHFVAKEILENKRFEQF
KLFAEVLERLQLLENGKIAYSYIDYDTYLRHNCTDEDSAGFVGELRSIRG
VEVAVLFMEFPRGKIHVSMRSKDWFNVNEVAFELGGGGHPRAAGVTFEGK
KIEEVIPRVINHLLKKFKEGVES
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 chain5o25 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5o25 Structural and Biophysical Analysis of the Soluble DHH/DHHA1-Type Phosphodiesterase TM1595 from Thermotoga maritima.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		D12 G41
Binding residue
(residue number reindexed from 1)		D15 G44
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003676 nucleic acid binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5o25, PDBe:5o25, PDBj:5o25
PDBsum5o25
PubMed29107484
UniProtQ9X1T1

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