Structure of PDB 1adn Chain A Binding Site BS01

Receptor Information

>1adn Chain A (length=92) Species: 562 (Escherichia coli)

MKKATCLTDDQRWQSVLARDPNADGEFVFAVRTTGIFCRPSCRARHALRE
NVSFYANASEALAAGFRPCKRCQPDKANPRQHRLDKITHACR

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: 1adn Chain A Residue 93

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1adn Solution structure of the DNA methyl phosphotriester repair domain of Escherichia coli Ada.
• Resolution: N/A
• Binding residue (original residue number in PDB): C38 C42 C72
• Binding residue (residue number reindexed from 1): C38 C42 C72
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C38 C42 C69 C72
• Catalytic site (residue number reindexed from 1): C38 C42 C69 C72
• Enzyme Commision number: 2.1.1.63: methylated-DNA--[protein]-cysteine S-methyltransferase.
  2.1.1.n11: methylphosphotriester-DNA--[protein]-cysteine S-methyltransferase.

Gene Ontology

Molecular Function

• GO:0003677 DNA binding
• GO:0008168 methyltransferase activity
• GO:0008270 zinc ion binding

Biological Process

• GO:0006281 DNA repair
• GO:0006355 regulation of DNA-templated transcription

External links

• PDB: RCSB:1adn, PDBe:1adn, PDBj:1adn
• PDBsum: 1adn
• PubMed: 8260490
• UniProt: P06134|ADA_ECOLI Bifunctional transcriptional activator/DNA repair enzyme Ada (Gene Name=ada)