Structure of PDB 6npa Chain A Binding Site BS02

Receptor Information
>6npa Chain A (length=188) Species: 506591 (Leisingera caerulea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLNRGNIVEFIGGIFDRRGDEEYLGEPVTMAEHMLQGATIAEQNGQPEEI
IVGALLHDIGHFTSEFGMFSMDDTEDRYHEEAGAEVLEQFFPSVITDCVR
YHVAAKRYLCATKPEYFNRLSEASIHSLKLQGGPMDAEEVAEFEKNPNLK
QIIAVRYLDEAGKRADMETPDYWHFAPMVQRMVDKHMG
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain6npa Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6npa A New Microbial Pathway for Organophosphonate Degradation Catalyzed by Two Previously Misannotated Non-Heme-Iron Oxygenases.
Resolution1.73 Å
Binding residue
(original residue number in PDB)		D65 H86 H109
Binding residue
(residue number reindexed from 1)		D58 H79 H102
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.90: [1-hydroxy-2-(trimethylamino)ethyl]phosphonate dioxygenase (glycine- betaine-forming).
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6npa, PDBe:6npa, PDBj:6npa
PDBsum6npa
PubMed30789718
UniProtA0A4V8H040|TMPB_LEICA [1-hydroxy-2-(trimethylamino)ethyl]phosphonate dioxygenase (glycine-betaine-forming) (Gene Name=tmpB)

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