Structure of PDB 4n71 Chain E Binding Site BS03

Receptor Information
>4n71 Chain E (length=179) Species: 663362 (uncultured bacterium HF130_AEPn_1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNSSKVSVLISLLEKSRDLDYIGEAINQLEHSLQCAYFAQRSGADNEMVL
AALLHDLGHYCDMGGYGVWQHEKVGADYLRGLGFSERVACLIEGHVAAKR
YLVSSKASYLKNLSDASRKTLEYQGGPMDEGERRLFEEREDFKDCLKIRA
WDEKGKQTDLKVPGPEHYRKMMEEHLSEN
Ligand information
Ligand IDODV
InChIInChI=1S/C2H8NO4P/c3-1-2(4)8(5,6)7/h2,4H,1,3H2,(H2,5,6,7)/t2-/m1/s1
InChIKeyRTTXIBKRJFIBBG-UWTATZPHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NC[CH](O)[P](O)(O)=O
CACTVS 3.385NC[C@H](O)[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)C(O)CN
OpenEye OEToolkits 1.7.6C([C@H](O)P(=O)(O)O)N
OpenEye OEToolkits 1.7.6C(C(O)P(=O)(O)O)N
FormulaC2 H8 N O4 P
Name[(1R)-2-amino-1-hydroxyethyl]phosphonic acid
ChEMBL
DrugBank
ZINCZINC000019204143
PDB chain4n71 Chain E Residue 203 [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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PDB4n71 Organophosphonate-degrading PhnZ reveals an emerging family of HD domain mixed-valent diiron oxygenases.
Resolution2.984 Å
Binding residue
(original residue number in PDB)		E27 D59 H62 H80 K108 S126 T129 Q133 R158
Binding residue
(residue number reindexed from 1)		E24 D56 H59 H71 K99 S117 T120 Q124 R149
Annotation score5
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:4n71, PDBe:4n71, PDBj:4n71
PDBsum4n71
PubMed24198335
UniProtD0E8I5|PHNZ_UNCHF 2-amino-1-hydroxyethylphosphonate dioxygenase (glycine-forming) (Gene Name=phnZ)

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