Structure of PDB 6q0c Chain A Binding Site BS03

Receptor Information
>6q0c Chain A (length=349) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERFPAREFQRDLLDWFARERRDLPWRKDRDPYKVWVSEVMLQQTRVETVI
PYFEQFIDRFPTLEALADADEDEVLKAWEGLGYYSRVRNLHAAVKEVKTR
YGGKVPDDPDEFSRLKGVGPYTVGAVLSLAYGVPEPAVDGNVMRVLSRLF
LVTDDIAKPSTRKRFEQIVREIMAYENPGAFNEALIELGALVCTPRRPSC
LLCPVQAYCQAFAEGVAEELPVKMKKTAVKQVPLAVAVLADDEGRVLIRK
RDSTGLLANLWEFPSCETDDGKEKLEQMVGLQVELTEPIVSFEHAFSHLV
WQLTVFPGRLVHGGPVEEPYRLAPEDELKAYAFPVSHQRVWREYKEWAS
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 chain6q0c Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6q0c Structural Basis for Finding OG Lesions and Avoiding Undamaged G by the DNA Glycosylase MutY.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R153 L154 C198 C205 C208 Q211 C214
Binding residue
(residue number reindexed from 1)		R148 L149 C193 C200 C203 Q206 C209
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E43 Y126 D144
Catalytic site (residue number reindexed from 1) E38 Y121 D139
Enzyme Commision number 3.2.2.31: adenine glycosylase.
Gene Ontology
Molecular Function
GO:0000701 purine-specific mismatch base pair DNA N-glycosylase activity
GO:0003677 DNA binding
GO:0003824 catalytic activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0019104 DNA N-glycosylase activity
GO:0032357 oxidized purine DNA binding
GO:0034039 8-oxo-7,8-dihydroguanine DNA N-glycosylase activity
GO:0035485 adenine/guanine mispair binding
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006281 DNA repair
GO:0006284 base-excision repair
GO:0006298 mismatch repair
GO:0006950 response to stress

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Molecular Function
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Biological Process
External links
PDB RCSB:6q0c, PDBe:6q0c, PDBj:6q0c
PDBsum6q0c
PubMed31829624
UniProtP83847|MUTY_GEOSE Adenine DNA glycosylase (Gene Name=mutY)

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