Structure of PDB 2amu Chain A Binding Site BS01

Receptor Information
>2amu Chain A (length=132) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMKLSDFIKTEDFKKEKHVPVIEAPEKVKKDEKVQIVVTVGKEIPHPNTT
EHHIRWIKVFFQPDGDPYVYEVGRYEFNAHGESVQGPNIGAVYTEPTVTT
VVKLNRSGTIIALSYCNIHGLWESSQKITVEE
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 chain2amu Chain A Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2amu Crystal structure of Putative superoxide reductase (EC 1.15.1.2) (SOR) (tm0658) from THERMOTOGA MARITIMA at 2.00 A resolution
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H17 H45 H51 C115 H118
Binding residue
(residue number reindexed from 1)		H18 H46 H52 C116 H119
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) E16 K17 H18 H46 H52 C116 H119
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:2amu, PDBe:2amu, PDBj:2amu
PDBsum2amu
PubMed
UniProtQ9WZC6|SOR_THEMA Putative superoxide reductase (Gene Name=TM_0658)

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