Structure of PDB 4jyy Chain A Binding Site BS02

Receptor Information
>4jyy 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 IDAZI
InChIInChI=1S/N3/c1-3-2/q-1
InChIKeyIVRMZWNICZWHMI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[N-]=[N+]=[N-]
FormulaN3
NameAZIDE ION
ChEMBLCHEMBL79455
DrugBank
ZINC
PDB chain4jyy Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4jyy Crystal structure of the azide and iron substituted Clostrium difficile SOD2 complex
Resolution2.101 Å
Binding residue
(original residue number in PDB)		T99 R102
Binding residue
(residue number reindexed from 1)		T71 R74
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:4jyy, PDBe:4jyy, PDBj:4jyy
PDBsum4jyy
PubMed
UniProtQ186I6

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