Structure of PDB 4mln Chain B Binding Site BS01

Receptor Information
>4mln Chain B (length=182) Species: 663362 (uncultured bacterium HF130_AEPn_1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLSNSSKVSVLISLLEKSRDLDYIINQLEHSLQCAYFAQRSGADNEMVLA
ALLHDLGHYCNTSFEDMGGYGVWQHEKVGADYLRGLGFSERVACLIEGHV
AAKRYLVSSKASYLKNLSDASRKTLEYQGGPMDEGERRLFEEREDFKDCL
KIRAWDEKGKQTDLKVPGPEHYRKMMEEHLSE
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 chain4mln Chain B 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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PDB4mln Crystal structure of PhnZ in complex with substrate reveals a di-iron oxygenase mechanism for catabolism of organophosphonates.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Y24 H34 H58 D59 D161
Binding residue
(residue number reindexed from 1)		Y23 H30 H54 D55 D156
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:4mln, PDBe:4mln, PDBj:4mln
PDBsum4mln
PubMed24706911
UniProtD0E8I5|PHNZ_UNCHF 2-amino-1-hydroxyethylphosphonate dioxygenase (glycine-forming) (Gene Name=phnZ)

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