Structure of PDB 1p7m Chain A Binding Site BS01

Receptor Information

>1p7m Chain A (length=187) Species: 562 (Escherichia coli)

MERCGWVSQDPLYIAYHDNEWGVPETDSKKLFEMICLEGQQAGLSWITVL
KKRENYRACFHQFDPVKVAAMQEEDVERLVQDAGIIRHRGKIQAIIGNAR
AYLQMEQNGEPFADFVWSFVNHQPQMTQATTLSEIPTSTPASDALSKALK
KRGFKFVGTTICYSFMQACGLVNDHVVGCCCYPGNKP

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 1p7m Chain A Residue 188

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1p7m Solution structure and base perturbation studies reveal a novel mode of alkylated base recognition by 3-methyladenine DNA glycosylase I
• Resolution: N/A
• Binding residue (original residue number in PDB): C4 H17 H175 C179
• Binding residue (residue number reindexed from 1): C4 H17 H175 C179
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): Y16 E38 W46
• Catalytic site (residue number reindexed from 1): Y16 E38 W46
• Enzyme Commision number: 3.2.2.20: DNA-3-methyladenine glycosylase I.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0005515 protein binding
• GO:0008725 DNA-3-methyladenine glycosylase activity
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006281 DNA repair
• GO:0006284 base-excision repair
• GO:0006307 DNA alkylation repair

External links

• PDB: RCSB:1p7m, PDBe:1p7m, PDBj:1p7m
• PDBsum: 1p7m
• PubMed: 13129925
• UniProt: P05100|3MG1_ECOLI DNA-3-methyladenine glycosylase 1 (Gene Name=tag)