Structure of PDB 3u7e Chain B Binding Site BS02

Receptor Information

>3u7e Chain B (length=380) Species: 10090 (Mus musculus)

SSLGWESLKKLLVFTASGVKPQGKVAAFALDGTLITTRSGKVFPTSPSDW
RILYPEIPKKLQELAAEGYKLVIFTNQMGIGRGKLPAEVFKGKVEAVLEK
LGVPFQVLVATHAGLNRKPVSGMWDHLQEQANEGIPISVEDSVFVGDAAG
RLANWAPGRKKKDFSCADRLFALNVGLPFATPEEFFLKWPAARFELPAFD
PRTISSAGPLYLPESSSLLSPNPEVVVAVGFPGAGKSTFIQEHLVSAGYV
HVNRDTLGSWQRCVSSCQAALRQGKRVVIDNTNPDVPSRARYIQCAKDAG
VPCRCFNFCATIEQARHNNRFREMTDPSHAPVSDMVMFSYRKQFEPPTLA
EGFLEILEIPFRLQHLDPALQRLYRQFSEG

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 3u7e Chain B Residue 523

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3u7e Structural basis for the phosphatase activity of polynucleotide kinase/phosphatase on single- and double-stranded DNA substrates.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): D172 D288
• Binding residue (residue number reindexed from 1): D31 D147
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.1.78: polynucleotide 5'-hydroxyl-kinase.
  3.1.3.32: polynucleotide 3'-phosphatase.

Gene Ontology

Molecular Function

• GO:0046403 polynucleotide 3'-phosphatase activity
• GO:0046404 ATP-dependent polydeoxyribonucleotide 5'-hydroxyl-kinase activity

Biological Process

• GO:0006281 DNA repair

External links

• PDB: RCSB:3u7e, PDBe:3u7e, PDBj:3u7e
• PDBsum: 3u7e
• PubMed: 22171004
• UniProt: Q9JLV6|PNKP_MOUSE Bifunctional polynucleotide phosphatase/kinase (Gene Name=Pnkp)