Structure of PDB 4n6w Chain A Binding Site BS01

Receptor Information
>4n6w Chain A (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]
MSLSNSSKVSVLISLLEKSRDLDYIGEAINQLEHSLQCAYFAQRSGADNE
MVLAALLHDLGHYCNGGYGVWQHEKVGADYLRGLGFSERVACLIEGHVAA
KRYLVSSKASYLKNLSDASRKTLEYQGGPMDEGERRLFEEREDFKDCLKI
RAWDEKGKQTDLKVPGPEHYRKMMEEHLSE
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 chain4n6w Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4n6w Organophosphonate-degrading PhnZ reveals an emerging family of HD domain mixed-valent diiron oxygenases.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		D59 H80 H104
Binding residue
(residue number reindexed from 1)		D59 H73 H97
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:4n6w, PDBe:4n6w, PDBj:4n6w
PDBsum4n6w
PubMed24198335
UniProtD0E8I5|PHNZ_UNCHF 2-amino-1-hydroxyethylphosphonate dioxygenase (glycine-forming) (Gene Name=phnZ)

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