Structure of PDB 6ex3 Chain B Binding Site BS01

Receptor Information
>6ex3 Chain B (length=197) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFELPKLPYAFDALEPHFDKETMEIHHDRHHNTYVTKLNAAVEGTDLESK
SIEEIVANLDSVPANIQTAVRNNGGGHLNHSLFWELLSPNSEEKGTVVEK
IKEQWGSLEEFKKEFADKAAARFGSGWAWLVVNNGQLEIVTTPNQDNPLT
EGKTPILGLDVWEHAYYLKYQNKRPDYIGAFWNVVNWEKVDELYNAT
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain6ex3 Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ex3 An evolutionary path to altered cofactor specificity in a metalloenzyme
Resolution2.2 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:6ex3, PDBe:6ex3, PDBj:6ex3
PDBsum6ex3
PubMed
UniProtP0A0J3|SODM1_STAA8 Superoxide dismutase [Mn] 1 (Gene Name=sodA)

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