Structure of PDB 6elk Chain A Binding Site BS01

Receptor Information
>6elk Chain A (length=194) Species: 6239 (Caenorhabditis elegans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KHTLPDLPFDYADLEPVISHEIMQLHHQKHHATYVNNLNQIEEKLHEAVS
KGNLKEAIALQPALKFNGGGHINHSIFWTNLAKDGGEPSKELMDTIKRDF
GSLDNLQKRLSDITIAVQGSGWGWLGYCKKDKILKIATCANHDPLEGMVP
LFGIDVWEHAYYLQYKNVRPDYVHAIWKIANWKNISERFANARQ
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 chain6elk Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6elk A Single Mutation is Sufficient to Modify the Metal Selectivity and Specificity of a Eukaryotic Manganese Superoxide Dismutase to Encompass Iron.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		H26 H74 D155 H159
Binding residue
(residue number reindexed from 1)		H26 H74 D155 H159
Annotation score1
Enzymatic activity
Enzyme Commision number 1.15.1.1: superoxide dismutase.
Gene Ontology
Molecular Function
GO:0004784 superoxide dismutase activity
GO:0046872 metal ion binding
Biological Process
GO:0006801 superoxide metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6elk, PDBe:6elk, PDBj:6elk
PDBsum6elk
PubMed29178484
UniProtP41977|SODM2_CAEEL Superoxide dismutase [Mn] 2, mitochondrial (Gene Name=sod-3)

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