Structure of PDB 1u8b Chain A Binding Site BS05

Receptor Information

>1u8b Chain A (length=132) Species: 562 (Escherichia coli)

MKDDQRWQSVLARDPNADGEFVFAVRTTGIFCRPSCRARHALRENVSFYA
NASEALAAGFRPCKRCQPDKANPRQHRLDKITHACRLLEQETPVTLEALA
DQVAMSPFHLHRLFKATTGMTPKAWQQAWRAR

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: 1u8b Chain A Residue 150

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1u8b A methylation-dependent electrostatic switch controls DNA repair and transcriptional activation by E. coli ada.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): C38 C42 C69 C72
• Binding residue (residue number reindexed from 1): C32 C36 C63 C66
• Annotation score: 1

Enzymatic activity

• 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:0003700 DNA-binding transcription factor activity
• GO:0008168 methyltransferase activity
• GO:0008270 zinc ion binding
• GO:0043565 sequence-specific DNA binding

Biological Process

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

External links

• PDB: RCSB:1u8b, PDBe:1u8b, PDBj:1u8b
• PDBsum: 1u8b
• PubMed: 16209950
• UniProt: P06134|ADA_ECOLI Bifunctional transcriptional activator/DNA repair enzyme Ada (Gene Name=ada)