Structure of PDB 4fnc Chain A Binding Site BS03

Receptor Information
>4fnc Chain A (length=196) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFNGVSEAELLTKTLPDILTFNLDIVIIGINPGLMAAYKGHHYPGPGNHF
WKCLFMSGLSEVQLNHMDDHTLPGKYGIGFTNMVERTTPGSKDLSSKEFR
EGGRILVQKLQKYQPRIAVFNGKCIYEIFSKEVFGVKVKNLEFGLQPHKI
PDTETLCYVMPSSSARCAQFPRAQDKVHYYIKLKDLRDQLKGIERN
Ligand information
Ligand IDHMU
InChIInChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)
InChIKeyJDBGXEHEIRGOBU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=C(C(=O)NC(=O)N1)CO
ACDLabs 10.04O=C1C(=CNC(=O)N1)CO
CACTVS 3.341OCC1=CNC(=O)NC1=O
FormulaC5 H6 N2 O3
Name5-HYDROXYMETHYL URACIL;
5-(HYDROXYMETHYL)PYRIMIDINE-2,4(1H,3H)-DIONE
ChEMBLCHEMBL1233360
DrugBank
ZINCZINC000000114121
PDB chain4fnc 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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PDB4fnc Excision of 5-hydroxymethyluracil and 5-carboxylcytosine by the thymine DNA glycosylase domain: its structural basis and implications for active DNA demethylation.
Resolution2.493 Å
Binding residue
(original residue number in PDB)		I139 N140 Y152 N230 S271
Binding residue
(residue number reindexed from 1)		I30 N31 Y43 N121 S162
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N140 H151
Catalytic site (residue number reindexed from 1) N31 H42
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:4fnc, PDBe:4fnc, PDBj:4fnc
PDBsum4fnc
PubMed22962365
UniProtQ13569|TDG_HUMAN G/T mismatch-specific thymine DNA glycosylase (Gene Name=TDG)

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