Structure of PDB 2q3w Chain A Binding Site BS02

Receptor Information
>2q3w Chain A (length=109) Species: 300 (Pseudomonas mendocina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFEKICSLDDIWVGEMETFETSDGTEVLIVNSEEHGVKAYQAMCPHQEIL
LSEGSYEGGVITCRAHLWTFNDGTGHGINPDDAALAEYPVEVKGDDIYVS
TKGILPNKA
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 chain2q3w Chain A Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2q3w Ensemble refinement of protein crystal structures: validation and application.
Resolution1.48 Å
Binding residue
(original residue number in PDB)		C45 H47 I50 C64 A66 H67 L68 W69
Binding residue
(residue number reindexed from 1)		C44 H46 I49 C63 A65 H66 L67 W68
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2q3w, PDBe:2q3w, PDBj:2q3w
PDBsum2q3w
PubMed17850744
UniProtQ00458|TMOC_PSEME Toluene-4-monooxygenase system, ferredoxin component (Gene Name=tmoC)

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