Structure of PDB 2aw9 Chain A Binding Site BS01

Receptor Information
>2aw9 Chain A (length=210) Species: 1299 (Deinococcus radiodurans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAYTLPQLPYAYDALEPHIDARTMEIHHTKHHQTYVDNANKALEGTEFAD
LPVEQLIQQLDRVPADKKGALRNNAGGHANHSMFWQIMGQGQGANQPSGE
LLDAINSAFGSFDAFKQKFEDAAKTRFGSGWAWLVVKDGKLDVVSTANQD
NPLMGEAIAGVSGTPILGVDVWEHAYYLNYQNRRPDYLAAFWNVVNWDEV
SKRYAAAKLV
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 chain2aw9 Chain A Residue 229 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2aw9 Crystal structure of manganese superoxide dismutase from Deinococcus radiodurans
Resolution2.7 Å
Binding residue
(original residue number in PDB)		H27 H81 D173 H177
Binding residue
(residue number reindexed from 1)		H27 H81 D170 H174
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
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2aw9, PDBe:2aw9, PDBj:2aw9
PDBsum2aw9
PubMed
UniProtQ9RUV2|SODM_DEIRA Superoxide dismutase [Mn] (Gene Name=sodA)

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