Structure of PDB 2wl9 Chain B Binding Site BS01

Receptor Information
>2wl9 Chain B (length=293) Species: 186196 (Rhodococcus sp. DK17) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKVTELGYLGLSVSNLDAWRDYAAGIMGMQVVDDGEDDRIYLRMDRWHHR
IVLHADGSDDLAYIGWRVAGPVELDELAEQLKNAGIPFEVASDADAAERR
VLGLVKLHDPGGNPTEIFYGPQVDTSSPFHPGRPMFGKFVTEGQGLGHII
IREDDVEEATRFYRLLGLEGAVEYKFAVGTPVFMHCNDRHHSLAFGVGPM
DKRINHLMIEYTHLDDLGYAHDLVRQQKIDVTLQIGKHSNDEALTFYCAN
PSGWLWEPGWGSRPAPAQQEHYLRDIFGHDNEVEGYGLDIPLK
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 chain2wl9 Chain B Residue 1300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wl9 Substrate-Binding Mechanism of a Type I Extradiol Dioxygenase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H149 H212 Y253 E263
Binding residue
(residue number reindexed from 1)		H148 H206 Y247 E257
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005506 iron ion binding
GO:0008198 ferrous iron binding
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0009056 catabolic process
GO:0042178 xenobiotic catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2wl9, PDBe:2wl9, PDBj:2wl9
PDBsum2wl9
PubMed20810655
UniProtQ6REQ5

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