Structure of PDB 1wyw Chain A Binding Site BS02

Receptor Information
>1wyw Chain A (length=216) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AELLTKTLPDILTFNLDIVIIGINPGLMAAYKGHHYPGPGNHFWKCLFMS
GLSEVQLNHMDDHTLPGKYGIGFTNMVERTTPGSKDLSSKEFREGGRILV
QKLQKYQPRIAVFNGKCIYEIFSKEVFGVKVKNLEFGLQPHKIPDTETLC
YVMPSSSARCAQFPRAQDKVHYYIKLKDLRDQLKGIERNMDVQEVQYTFD
LQLAQEDAKKMAVKEE
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain1wyw Chain A Residue 344 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wyw Crystal structure of thymine DNA glycosylase conjugated to SUMO-1.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		I136 Y152 T190 N191
Binding residue
(residue number reindexed from 1)		I20 Y36 T74 N75
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) N140 H151
Catalytic site (residue number reindexed from 1) N24 H35
Enzyme Commision number 3.2.2.29: thymine-DNA glycosylase.
Gene Ontology
Molecular Function
GO:0000700 mismatch base pair DNA N-glycosylase activity
Biological Process
GO:0006285 base-excision repair, AP site formation

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Molecular Function
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Biological Process
External links
PDB RCSB:1wyw, PDBe:1wyw, PDBj:1wyw
PDBsum1wyw
PubMed15959518
UniProtQ13569|TDG_HUMAN G/T mismatch-specific thymine DNA glycosylase (Gene Name=TDG)

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