Structure of PDB 4mlm Chain B Binding Site BS01

Receptor Information
>4mlm Chain B (length=187) 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
EGHVAAKRYLVSSKSYLKNLSDASRKTLEYQGGPMDEGERRLFEEREDFK
DCLKIRAWDEKGKQTDLKVPGPEHYRKMMEEHLSENQ
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 B 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)		Y24 H34 H58 D59 D161
Binding residue
(residue number reindexed from 1)		Y23 H33 H57 D58 D159
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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