Structure of PDB 3rn4 Chain A Binding Site BS01

Receptor Information
>3rn4 Chain A (length=205) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVTLPDLKWDFGALEPYISGQINELHYTKHHQTYVNGFNTAVDQFQELSD
LLAKEPSPANARKMIAIQQNIKFHGGGFTNHCLFWENLAPESQGGGEPPT
GALAKAIDEQFGSLDELIKLTNTKLAGVQGSGWAFIVKNLSNGGKLDVVQ
TYNQDTVTGPLVPLVAIDAWEHAYYLQYQNKKADYFKAIWNVVNWKEASR
RFDAG
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 chain3rn4 Chain A Residue 216 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3rn4 Structures of native and Fe-substituted SOD2 from Saccharomyces cerevisiae
Resolution1.79 Å
Binding residue
(original residue number in PDB)
H34 H89 D176 H180
Binding residue
(residue number reindexed from 1)
H26 H81 D168 H172
Annotation score1
Enzymatic activity
Enzyme Commision number 1.15.1.1: superoxide dismutase.
Gene Ontology
Molecular Function
GO:0004784 superoxide dismutase activity
GO:0016209 antioxidant activity
GO:0016491 oxidoreductase activity
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006801 superoxide metabolic process
GO:0019430 removal of superoxide radicals
GO:0072593 reactive oxygen species metabolic process
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix

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Cellular Component
External links
PDB RCSB:3rn4, PDBe:3rn4, PDBj:3rn4
PDBsum3rn4
PubMed22102021
UniProtP00447|SODM_YEAST Superoxide dismutase [Mn], mitochondrial (Gene Name=SOD2)

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