Structure of PDB 2xsv Chain A Binding Site BS01

Receptor Information
>2xsv Chain A (length=309) Species: 40216 (Acinetobacter radioresistens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHHNRQQIDALVKQMNVDTAKGPVDERIQQVVVRLLGDLFQAIEDLDIQ
PSEVWKGLEYLTDAGQANELGALAAGLGLEHYLDLRADEADAKAGITGGT
PRTIEGPLYVAGAPESVGFARMDDGSESDKVDTLIIEGTVTDTEGNIIEG
AKVEVWHANSLGNYSFFDKSQSDFNLRRTILTDVNGKYVALTTMPVGYGC
PPEGTTQALLNKLGRHGNRPSHVHYFVSAPGYRKLTTQFNIEGDEYLWDD
FAFATRDGLVATATDVTDEAEIARRELDKPFKHITFNVELVKEAEAAPSS
EVERRRASA
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 chain2xsv Chain A Residue 1307 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2xsv X-Ray Crystallography, Mass Spectrometry and Single Crystal Microspectrophotometry: A Multidisciplinary Characterization of Catechol 1,2 Dioxygenase.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y161 Y195 H219 H221
Binding residue
(residue number reindexed from 1)		Y164 Y198 H222 H224
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.1: catechol 1,2-dioxygenase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005506 iron ion binding
GO:0008199 ferric iron binding
GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
GO:0018576 catechol 1,2-dioxygenase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0009056 catabolic process
GO:0009712 catechol-containing compound metabolic process
GO:0019614 catechol-containing compound catabolic process
GO:0042952 beta-ketoadipate pathway

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Molecular Function
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Biological Process
External links
PDB RCSB:2xsv, PDBe:2xsv, PDBj:2xsv
PDBsum2xsv
PubMed20869471
UniProtQ9F103

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