Structure of PDB 6pro Chain A Binding Site BS01

Receptor Information
>6pro Chain A (length=202) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PFELPALPYPYDALEPHIDKETMNIHHTKHHNTYVTNLNAALEGHPDLQN
KSLEELLSNLEALPESIRTAVRNNGGGHANHSLFWTILSPNGGGEPTGEL
ADAINKKFGSFTAFKDEFSKAAAGRFGSGWAWLVVNNGELEITSTPNQDS
PIMEGKTPILGLDVWEHAYYLKYQNRRPEYIAAFWNVVNWDEVAKRYSEA
KA
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 chain6pro 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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PDB6pro Crystal structure of manganese superoxide dismutase from Bacillus stearothermophilus at 2.4 A resolution.
Resolution2.263 Å
Binding residue
(original residue number in PDB)		H26 H81 D163 H167
Binding residue
(residue number reindexed from 1)		H26 H81 D163 H167
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:6pro, PDBe:6pro, PDBj:6pro
PDBsum6pro
PubMed
UniProtP00449|SODM_GEOSE Superoxide dismutase [Mn] (Gene Name=sodA)

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