Structure of PDB 1kea Chain A Binding Site BS02

Receptor Information
>1kea Chain A (length=217) Species: 145262 (Methanothermobacter thermautotrophicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DATNKKRKVFVSTILTFWNTDRRDFPWRHTRDPYVILITEILLRRTTAGH
VKKIYDKFFVKYKCFEDILKTPKSEIAKDIKEIGLSNQRAEQLKELARVV
INDYGGRVPRNRKAILDLPGVGKYTCAAVMCLAFGKKAAMVDANFVRVIN
RYFGGSYENLNYNHKALWELAETLVPGGKCRDFNLGLMDFSAIICAPRKP
KCEKCGMSKLCSYYEKC
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 chain1kea Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kea Structure and activity of a thermostable thymine-DNA glycosylase: evidence for base twisting to remove mismatched normal DNA bases.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R153 C197 P202 C204 C207 S210 C213 Y215
Binding residue
(residue number reindexed from 1)		R151 C195 P200 C202 C205 S208 C211 Y213
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E42 Y126 D144
Catalytic site (residue number reindexed from 1) E40 Y124 D142
Enzyme Commision number 3.2.2.-
3.2.2.29: thymine-DNA glycosylase.
Gene Ontology
Molecular Function
GO:0000701 purine-specific mismatch base pair DNA N-glycosylase activity
GO:0003824 catalytic activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
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
GO:0141016 G/T mismatch-specific thymine-DNA glycosylase activity
Biological Process
GO:0006281 DNA repair
GO:0006284 base-excision repair
GO:0006298 mismatch repair
GO:0006950 response to stress

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:1kea, PDBe:1kea, PDBj:1kea
PDBsum1kea
PubMed11786018
UniProtP29588|MIG_METTF Thymine/uracil-DNA glycosylase (Gene Name=mig)

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