Structure of PDB 5n57 Chain A Binding Site BS01

Receptor Information
>5n57 Chain A (length=198) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFKLPNLPYAYDALEPYIDQRTMEFHHDKHHNTYVTKLNATVEGTELEHQ
SLADMIANLDKVPEAMRMSVRNNGGGHFNHSLFWEILSPNSEEKGGVIDD
IKAQWGTLDEFKNEFANKATTLFGSGWTWLVVNDGKLEIVTTPNQDNPLT
EGKTPILLFDVWEHAYYLKYQNKRPDYMTAFWNIVNWKKVDELYQAAK
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 chain5n57 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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PDB5n57 A charge polarization model for the metal-specific activity of superoxide dismutases.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H27 H81 D161 H165
Binding residue
(residue number reindexed from 1)		H26 H80 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: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:5n57, PDBe:5n57, PDBj:5n57
PDBsum5n57
PubMed29308487
UniProtQ2G261|SODM2_STAA8 Superoxide dismutase [Mn/Fe] 2 (Gene Name=sodM)

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