Structure of PDB 1mud Chain A Binding Site BS03

Receptor Information
>1mud Chain A (length=225) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQASQFSAQVLDWYDKYGRKTLPWQIDKTPYKVWLSEVMLQQTQVATVIP
YFERFMARFPTVTDLANAPLDEVLHLWTGLGYYARARNLHKAAQQVATLH
GGKFPETFEEVAALPGVGRSTAGAILSLSLGKHFPILNGNVKRVLARCYA
VSGWPGKKEVENKLWSLSEQVTPAVGVERFNQAMMDLGAMICTRSKPKCS
LCPLQNGCIAAANNSWALYPGKKPK
Ligand information
Ligand IDADE
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04n1c(c2ncnc2nc1)N
FormulaC5 H5 N5
NameADENINE
ChEMBLCHEMBL226345
DrugBankDB00173
ZINCZINC000000000882
PDB chain1mud Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1mud MutY catalytic core, mutant and bound adenine structures define specificity for DNA repair enzyme superfamily.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		T193 S195
Binding residue
(residue number reindexed from 1)		T193 S195
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E37 S120 N138
Catalytic site (residue number reindexed from 1) E37 S120 N138
Enzyme Commision number 3.2.2.31: adenine glycosylase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003824 catalytic activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0019104 DNA N-glycosylase activity
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006281 DNA repair
GO:0006284 base-excision repair

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Molecular Function
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Biological Process
External links
PDB RCSB:1mud, PDBe:1mud, PDBj:1mud
PDBsum1mud
PubMed9846876
UniProtP17802|MUTY_ECOLI Adenine DNA glycosylase (Gene Name=mutY)

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