Structure of PDB 3tjt Chain A Binding Site BS01

Receptor Information
>3tjt Chain A (length=202) Species: 272563 (Clostridioides difficile 630) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NNKFKVKPLPYAYDALEPYIDKETMKLHHDKHYQAYVDKLNAALEKYPEL
YNYSLCELLQNLDSLPKDIATTVRNNAGGAYNHKFFFDIMTPEKTIPSES
LKEAIDRDFGSFEKFKQEFQKSALDVFGSGWAWLVATKDGKLSIMTTPNQ
DSPVSKNLTPIIGLDVWEHAYYLKYQNRRNEYIDNWFNVVNWNGALENYK
NL
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 chain3tjt Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3tjt Crystal Structure of the superoxide dismutase from Clostridium difficile
Resolution1.801 Å
Binding residue
(original residue number in PDB)		H56 H111 D193 H197
Binding residue
(residue number reindexed from 1)		H28 H83 D165 H169
Annotation score1
Enzymatic activity
Enzyme Commision number 1.15.1.1: superoxide dismutase.
Gene Ontology
Molecular Function
GO:0004784 superoxide dismutase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0006801 superoxide metabolic process
GO:0019430 removal of superoxide radicals

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Molecular Function
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Biological Process
External links
PDB RCSB:3tjt, PDBe:3tjt, PDBj:3tjt
PDBsum3tjt
PubMed
UniProtQ186I6

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