Structure of PDB 6npa Chain B Binding Site BS01

Receptor Information
>6npa Chain B (length=187) Species: 506591 (Leisingera caerulea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLNRGNIVEFIGGIFDRRGDEEYLGEPVTMAEHMLQGATIAEQNGQPEEI
IVGALLHDIGHFTSEFGMFSMDDTEDRYHEEAGAEVLEQFFPSVITDCVR
YHVAAKRYLCATKPEYFNRLSEASIHSLKLQGGPMDAEEVAEFEKNPNLK
QIIAVRYLDEAGKRADMETPDYWHFAPMVQRMVDKHM
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 chain6npa Chain B Residue 201 [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)		Y30 H40 H64 D65 D166
Binding residue
(residue number reindexed from 1)		Y23 H33 H57 D58 D159
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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