Structure of PDB 4mlm Chain A Binding Site BS02

Receptor Information
>4mlm Chain A (length=188) Species: 663362 (uncultured bacterium HF130_AEPn_1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLSNSSKVSVLISLLEKSRDLDYIGEAINQLEHSLQCAYFAQRSGADNEM
VLAALLHDLGHYCNDTSFEDMGGYGVWQHEKVGADYLRGLGFSERVACLI
EGHVAAKRYLVSSKASYLKNLSDASRKTLEYQGGPMDEGERRLFEEREDF
KDCLKIRAWDEKGKQTDLKVPGPEHYRKMMEEHLSENQ
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 chain4mlm Chain A Residue 202 [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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PDB4mlm Crystal structure of PhnZ in complex with substrate reveals a di-iron oxygenase mechanism for catabolism of organophosphonates.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D59 H80 H104
Binding residue
(residue number reindexed from 1)		D58 H79 H103
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:4mlm, PDBe:4mlm, PDBj:4mlm
PDBsum4mlm
PubMed24706911
UniProtD0E8I5|PHNZ_UNCHF 2-amino-1-hydroxyethylphosphonate dioxygenase (glycine-forming) (Gene Name=phnZ)

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