Structure of PDB 4n71 Chain B Binding Site BS02

Receptor Information
>4n71 Chain B (length=180) Species: 663362 (uncultured bacterium HF130_AEPn_1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNSSKVSVLISLLEKSRDLDYIGEAINQLEHSLQCAYFAQRSGADNEMVL
AALLHDLGHYCNDMGGYGVWQHEKVGADYLRGLGFSERVACLIEGHVAAK
RYLVSSKASYLKNLSDASRKTLEYQGGPMDEGERRLFEEREDFKDCLKIR
AWDEKGKQTDLKVPGPEHYRKMMEEHLSEN
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain4n71 Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4n71 Organophosphonate-degrading PhnZ reveals an emerging family of HD domain mixed-valent diiron oxygenases.
Resolution2.984 Å
Binding residue
(original residue number in PDB)		H34 H58 D59 D161
Binding residue
(residue number reindexed from 1)		H31 H55 D56 D153
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.78: 2-amino-1-hydroxyethylphosphonate dioxygenase (glycine-forming).
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4n71, PDBe:4n71, PDBj:4n71
PDBsum4n71
PubMed24198335
UniProtD0E8I5|PHNZ_UNCHF 2-amino-1-hydroxyethylphosphonate dioxygenase (glycine-forming) (Gene Name=phnZ)

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