Structure of PDB 1mun Chain A Binding Site BS01

Receptor Information
>1mun 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 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 chain1mun 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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PDB1mun MutY catalytic core, mutant and bound adenine structures define specificity for DNA repair enzyme superfamily.
Resolution1.2 Å
Binding residue
(original residue number in PDB)		R147 C192 C199 C202 Q205 C208
Binding residue
(residue number reindexed from 1)		R147 C192 C199 C202 Q205 C208
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:1mun, PDBe:1mun, PDBj:1mun
PDBsum1mun
PubMed9846876
UniProtP17802|MUTY_ECOLI Adenine DNA glycosylase (Gene Name=mutY)

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