Structure of PDB 4emj Chain B Binding Site BS01

Receptor Information
>4emj Chain B (length=106) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TWTYILRQGDLPPGEMQRYEGGPEPVMVCNVDGEFFAVQDTCTHGDWALS
DGYLDGDIVECTLHFGKFCVRTGKVKALPACKPIKVFPIKVEGDEVHVDL
DNGELK
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain4emj 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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PDB4emj Suppression of Electron Transfer to Dioxygen by Charge Transfer and Electron Transfer Complexes in the FAD-dependent Reductase Component of Toluene Dioxygenase.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		C42 H44 G45 C61 L63 H64 G66 P79
Binding residue
(residue number reindexed from 1)		C42 H44 G45 C61 L63 H64 G66 P79
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0009056 catabolic process
GO:0042203 toluene catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4emj, PDBe:4emj, PDBj:4emj
PDBsum4emj
PubMed22992736
UniProtA5W4F0|TODB_PSEP1 Toluene 1,2-dioxygenase system ferredoxin subunit (Gene Name=todB)

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