Structure of PDB 1wyw Chain A Binding Site BS01

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 343 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1wyw Crystal structure of thymine DNA glycosylase conjugated to SUMO-1.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Q283 D284 K285 V286 H287 Y313
Binding residue
(residue number reindexed from 1)		Q167 D168 K169 V170 H171 Y197
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

View graph for
Molecular Function
View graph for
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)

[Back to BioLiP]