Structure of PDB 2ia5 Chain J Binding Site BS01

Receptor Information

>2ia5 Chain J (length=296) Species: 10665 (Tequatrovirus T4)

MKKIILTIGCPGSGKSTWAREFIAKNPGFYNINRDDYRQSIMAHEERDEY
KYTKKKEGIVTGMQFDTAKSILYGGDSVKGVIISDTNLNPERRLAWETFA
KEYGWKVEHKVFDVPWTELVKRNSKRGTKAVPIDVLRSMYKSMREYLGLP
VYNGTPGKPKAVIFDVDGTLAKMNPYDLCDTDVINPMVVELSKMYALMGY
QIVVVSGRESGTKEDPTKYYRMTRKWVEDIAGVPLVMQCQREQGDTRKDD
VVKEEIFWKHIAPHFDVKLAIDDRTQVVEMWRRIGVECWQVASGDF

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: 2ia5 Chain J Residue 907

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2ia5 Structure-function analysis of the 3' phosphatase component of T4 polynucleotide kinase/phosphatase.
• Resolution: 2.9 Å
• Binding residue (original residue number in PDB): D167 G168 T169 D278
• Binding residue (residue number reindexed from 1): D167 G168 T169 D273
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K15 D35 R126 D165
• Catalytic site (residue number reindexed from 1): K15 D35 R126 D165
• Enzyme Commision number: 2.7.1.78: polynucleotide 5'-hydroxyl-kinase.
  3.1.3.34: deoxynucleotide 3'-phosphatase.

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0016301 kinase activity
• GO:0016787 hydrolase activity
• GO:0046404 ATP-dependent polydeoxyribonucleotide 5'-hydroxyl-kinase activity
• GO:0047846 deoxynucleotide 3'-phosphatase activity
• GO:0051734 ATP-dependent polynucleotide 5'-hydroxyl-kinase activity

Biological Process

• GO:0006281 DNA repair
• GO:0016310 phosphorylation

External links

• PDB: RCSB:2ia5, PDBe:2ia5, PDBj:2ia5
• PDBsum: 2ia5
• PubMed: 17493655
• UniProt: P06855|KIPN_BPT4 Polynucleotide kinase (Gene Name=pseT)