Structure of PDB 3qzb Chain A Binding Site BS01

Receptor Information
>3qzb Chain A (length=131) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLSDFIKTEDFKKEKHVPVIEAPEKVKKDEKVQIVVTVGKEIPHPNTTE
HHIRWIKVFFQPDGDPYVYEVGRYEFNAHGESVQGPNIGAVYTEPTVTTV
VKLNRSGTIIALSYCNIHGLWESSQKITVEE
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 chain3qzb Chain A Residue 132 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3qzb Crystal structure of a putative superoxide reductase (TM0658) from Thermotoga maritima at 1.10 A resolution
Resolution1.1 Å
Binding residue
(original residue number in PDB)		H17 H45 H51 C115 H118
Binding residue
(residue number reindexed from 1)		H17 H45 H51 C115 H118
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) E15 K16 H17 H45 H51 C115 H118
Catalytic site (residue number reindexed from 1) E15 K16 H17 H45 H51 C115 H118
Enzyme Commision number 1.15.1.2: superoxide reductase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050605 superoxide reductase activity
Biological Process
GO:0098869 cellular oxidant detoxification

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Molecular Function
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Biological Process
External links
PDB RCSB:3qzb, PDBe:3qzb, PDBj:3qzb
PDBsum3qzb
PubMed
UniProtQ9WZC6|SOR_THEMA Putative superoxide reductase (Gene Name=TM_0658)

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