Structure of PDB 1ui1 Chain A Binding Site BS01

Receptor Information
>1ui1 Chain A (length=188) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLELLQAQAQNCTACRLMEGRTRVVFGEGNPDAKLMIVGEGPGEEEDKTG
RPFVGKAGQLLNRILEAAGIPREEVYITNIVKCRPPQNRAPLPDEAKICT
DKWLLKQIELIAPQIIVPLGAVAAEFFLGEKVSITKVRGKWYEWHGIKVF
PMFHPAYLLRNPSRAPGSPKHLTWLDIQEVKRALDALP
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 chain1ui1 Chain A Residue 210 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ui1 Crystal Structure of a Family 4 Uracil-DNA Glycosylase from Thermus thermophilus HB8
Resolution2.8 Å
Binding residue
(original residue number in PDB)		C13 C16 R22 K83 C84 C100 W104
Binding residue
(residue number reindexed from 1)		C12 C15 R21 K82 C83 C99 W103
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.2.27: uracil-DNA glycosylase.
Gene Ontology
Molecular Function
GO:0004844 uracil DNA N-glycosylase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006281 DNA repair

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Molecular Function
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Biological Process
External links
PDB RCSB:1ui1, PDBe:1ui1, PDBj:1ui1
PDBsum1ui1
PubMed14556741
UniProtQ5SKC5|UDGA_THET8 Type-4 uracil-DNA glycosylase (Gene Name=udg)

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