Structure of PDB 4ar4 Chain A Binding Site BS04

Receptor Information
>4ar4 Chain A (length=54) Species: 186497 (Pyrococcus furiosus DSM 3638) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAKWVCKICGYIYDEDAGDPDNGISPGTKFEELPDDWVCPICGAPKSEFE
KLED
Ligand information
Ligand IDD3O
InChIInChI=1S/H2O/h1H2/p+1/i/hD3
InChIKeyXLYOFNOQVPJJNP-ZRLBSURWSA-O
SMILES
SoftwareSMILES
ACDLabs 12.01
OpenEye OEToolkits 1.9.2		[2H][O+]([2H])[2H]
CACTVS 3.385[O+]([2H])([2H])[2H]
FormulaD3 O
Nametrideuteriooxidanium;
perdeuterated oxonium
ChEMBL
DrugBank
ZINC
PDB chain4ar4 Chain A Residue 1058 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ar4 Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation State Equilibria in Redox Changes.
Resolution1.381 Å
Binding residue
(original residue number in PDB)		S24 P25
Binding residue
(residue number reindexed from 1)		S25 P26
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0046872 metal ion binding
Biological Process
GO:0043448 alkane catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4ar4, PDBe:4ar4, PDBj:4ar4
PDBsum4ar4
PubMed23225503
UniProtP24297|RUBR_PYRFU Rubredoxin (Gene Name=rub)

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