Structure of PDB 3mds Chain A Binding Site BS01

Receptor Information
>3mds Chain A (length=203) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PYPFKLPDLGYPYEALEPHIDAKTMEIHHQKHHGAYVTNLNAALEKYPYL
HGVEVEVLLRHLAALPQDIQTAVRNNGGGHLNHSLFWRLLTPGGAKEPVG
ELKKAIDEQFGGFQALKEKLTQAAMGRFGSGWAWLVKDPFGKLHVLSTPN
QDNPVMEGFTPIVGIDVWEHAYYLKYQNRRADYLQAIWNVLNWDVAEEFF
KKA
Ligand information
Ligand IDMN3
InChIInChI=1S/Mn/q+3
InChIKeyMMIPFLVOWGHZQD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Mn+3]
FormulaMn
NameMANGANESE (III) ION
ChEMBL
DrugBank
ZINC
PDB chain3mds Chain A Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3mds Manganese superoxide dismutase from Thermus thermophilus. A structural model refined at 1.8 A resolution.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H28 H83 D166 H170
Binding residue
(residue number reindexed from 1)		H28 H83 D166 H170
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:3mds, PDBe:3mds, PDBj:3mds
PDBsum3mds
PubMed2038060
UniProtP61503|SODM_THET8 Superoxide dismutase [Mn] (Gene Name=sodA)

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