Structure of PDB 4mln Chain A Binding Site BS01

Receptor Information
>4mln Chain A (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]
LSNSSKVSVLISLLEKSRDLDYIGEAINQLEHSLQCAYFAQRSGADNEMV
LAALLHDLGHYCNDTSFEDMGGYGVWQHEKVGADYLRGLGFSERVACLIE
GHVAAKRYLVSSKYLKNLSDASRKTLEYQGGPMDGERRLFEEREDFKDCL
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 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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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)		H34 H58 D59 D161
Binding residue
(residue number reindexed from 1)		H32 H56 D57 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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