Structure of PDB 4br6 Chain A Binding Site BS01

Receptor Information
>4br6 Chain A (length=196) Species: 209285 (Thermochaetoides thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KATLPDLKYDYGALEPYISARIMELHHSKHHQTYVNGLNSALEATAEAEA
KGDFTKAASLAPLLNFHGGGHLNHTLFWENLAPASREGGGEPDGALKKAI
EADFGSFETFRKQMNAALTGIQGSGWAWLAKDKDSGNLAIVTRANQDPVT
GQLVPLMGIDAWEHAYYLQYENRKAEYFEAIWNVINWKTVAQRFEK
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 chain4br6 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4br6 Crystal Structure and Biochemical Characterization of a Manganese Superoxide Dismutase from Chaetomium Thermophilum.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H26 H74 D160 H164
Binding residue
(residue number reindexed from 1)		H26 H74 D160 H164
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:4br6, PDBe:4br6, PDBj:4br6
PDBsum4br6
PubMed24316252
UniProtF8V325

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