Structure of PDB 5kn8 Chain A Binding Site BS03

Receptor Information
>5kn8 Chain A (length=222) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FPAREFQRDLLDWFARERRDLPWRKDRDPYKVWVSEVMLQQTRVETVIPY
FEQFIDRFPTLEALADADEDEVLKAWEGLGYYSRVRNLHAAVKEVKTRYG
GKVPDDPDEFSRLKGVGPYTVGAVLSLAYGVPEPAVNGNVMRVLSRLFLV
TDDIAKCSTRKRFEQIVREIMAYENPGAFNEALIELGALVCTPRRPSCLL
CPVQAYCQAFAEGVAEELPVKM
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain5kn8 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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PDB5kn8 Structural Basis for the Lesion-scanning Mechanism of the MutY DNA Glycosylase.
Resolution1.81 Å
Binding residue
(original residue number in PDB)		R153 C198 C205 C208 C214
Binding residue
(residue number reindexed from 1)		R146 C191 C198 C201 C207
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E43 Y126 N144
Catalytic site (residue number reindexed from 1) E36 Y119 N137
Enzyme Commision number 3.2.2.31: adenine glycosylase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003824 catalytic activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0019104 DNA N-glycosylase activity
GO:0051539 4 iron, 4 sulfur cluster 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:5kn8, PDBe:5kn8, PDBj:5kn8
PDBsum5kn8
PubMed28130451
UniProtP83847|MUTY_GEOSE Adenine DNA glycosylase (Gene Name=mutY)

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