Structure of PDB 3r5v Chain F Binding Site BS01

Receptor Information
>3r5v Chain F (length=174) Species: 277988 (Thermococcus thioreducens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNPFHELEPGPEVPEVVYALIEIPKGSRNKYELDKKTGLLKLDRVLYSPF
FYPVDYGIIPQTWYDDGDPFDIMVIMREPVYPLTIIEARPIGIMKMEDSG
DKDWKVLAVPVEDPYFNDWKDISDVPKAFLDEIAHFFQRYKELQGKTTKI
EGWGNAEEAKREILRAIEMYKEKF
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 chain3r5v Chain F Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3r5v The structure of calcium bound Thermococcus thioreducens inorganic pyrophosphatase at 298K
Resolution1.65 Å
Binding residue
(original residue number in PDB)		D66 D71 D103
Binding residue
(residue number reindexed from 1)		D66 D71 D103
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.1: inorganic diphosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004427 inorganic diphosphate phosphatase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006796 phosphate-containing compound metabolic process
Cellular Component
GO:0005737 cytoplasm

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Cellular Component
External links
PDB RCSB:3r5v, PDBe:3r5v, PDBj:3r5v
PDBsum3r5v
PubMed
UniProtH0USY5

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