Structure of PDB 1t3q Chain A Binding Site BS02

Receptor Information
>1t3q Chain A (length=162) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQLMRISATINGKPRVFYVEPRMHLADALREVVGLTGTKIGCEQGVCGSC
TILIDGAPMRSCLTLAVQAEGCSIETVEGLSQGEKLNALQDSFRRHHALQ
CGFCTAGMLATARSILAENPAPSRDEVREVMSGNLCRCTGYETIIDAITD
PAVAEAARRGEV
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 chain1t3q Chain A Residue 4908 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1t3q Active site geometry and substrate recognition of the molybdenum hydroxylase quinoline 2-oxidoreductase.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		I46 C48 E49 G51 C53 G54 C56 R66 C68
Binding residue
(residue number reindexed from 1)		I40 C42 E43 G45 C47 G48 C50 R60 C62
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.99.17: quinoline 2-oxidoreductase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:1t3q, PDBe:1t3q, PDBj:1t3q
PDBsum1t3q
PubMed15296736
UniProtP72223

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