Structure of PDB 3evk Chain D Binding Site BS01

Receptor Information
>3evk Chain D (length=211) Species: 13773 (Pyrobaculum aerophilum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVTTKRYTLPPLPYAYNALEPYISAEIMQLHHQKHHQGYVNGANAALEKL
EKFRKGEAQIDIRAVLRDLSFHLNGHILHSIFWPNMAPPGKGGGKPGGKI
ADLINKFFGSFEKFKEEFSQAAKNVEGVGWAILVYEPLEEQLLILQIEKH
NLMHAADAQVLLALDVWEHAYYLQYKNDRGSYVDNWWNVVNWDDVERRLQ
KALNGQIALKL
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain3evk Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3evk Crystal Structure of the Metal-bound Superoxide Dismutase from Pyrobaculum aerophilum and Comparison with the Metal-free Form
Resolution1.85 Å
Binding residue
(original residue number in PDB)		H42 H90 D176 H180
Binding residue
(residue number reindexed from 1)		H31 H79 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:3evk, PDBe:3evk, PDBj:3evk
PDBsum3evk
PubMed
UniProtO93724|SODF_PYRAE Superoxide dismutase [Fe] (Gene Name=sod)

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