Structure of PDB 8edd Chain A Binding Site BS01

Receptor Information
>8edd Chain A (length=296) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLLGSHVSMSGKKMLEGSAIEAHEYGETTFMIFTGAPQNTRRKSIEDLNI
TKGHEVMEKYGLSNIVVHAPYIINIANTTKPETFNLGVDFLQQEIERTQA
IGAKDIVLHPGAHVGAGVDAGINKIIEGLNEVLTNDNNVRIALETMAGKG
TEIGRSFEELARIIDGVHNNERLSVCFDTCHTHDAGYNVKEDFDGVLNEF
DKIIGVDRIKVVHVNDSKNDRGAQKDRHENIGFGYIGFDALNYIVHHDSF
KDIPKILETPYVGEDKKNKKPPYKLEIEMLKQQHFDPELKNKVMQQ
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 chain8edd 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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PDB8edd Octahedrally coordinated iron in the catalytic site of endonuclease IV from Staphylococcus aureus
Resolution1.5 Å
Binding residue
(original residue number in PDB)		H68 H109 E144
Binding residue
(residue number reindexed from 1)		H68 H109 E144
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.21.2: deoxyribonuclease IV.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003906 DNA-(apurinic or apyrimidinic site) endonuclease activity
GO:0004519 endonuclease activity
GO:0008081 phosphoric diester hydrolase activity
GO:0008270 zinc ion binding
GO:0008833 deoxyribonuclease IV (phage-T4-induced) activity
GO:0046872 metal ion binding
Biological Process
GO:0006281 DNA repair
GO:0006284 base-excision repair

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Molecular Function
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Biological Process
External links
PDB RCSB:8edd, PDBe:8edd, PDBj:8edd
PDBsum8edd
PubMed
UniProtQ6GGE2|END4_STAAR Probable endonuclease 4 (Gene Name=nfo)

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