Structure of PDB 2jat Chain A Binding Site BS01

Receptor Information

>2jat Chain A (length=190) Species: 44101 (Mycoplasma mycoides subsp. mycoides SC)

MKIAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTV
FKMQIYMLTARSKQLKQLENIIFDRTLLEDPIFMKVNYDLNNVDQTDYNT
YIDFYNNVVLLSFDIVIYLRVSTKTAISRIKKRGRSEELLIGEEYWETLN
KNYEEFYKQNVYDFPFFVVDAELDVKTQIELIMNKLNSIK

Ligand information

• Ligand ID: POP
• InChI: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
• InChIKey: XPPKVPWEQAFLFU-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
  CACTVS 3.341: O[P]([O-])(=O)O[P](O)([O-])=O
  ACDLabs 10.04: [O-]P(=O)(O)OP([O-])(=O)O
  OpenEye OEToolkits 1.5.0: OP(=O)([O-])OP(=O)(O)[O-]
• Formula: H2 O7 P2
• Name: PYROPHOSPHATE 2-
• PDB chain: 2jat Chain A Residue 1204

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2jat Structure-Function Analysis of a Bacterial Deoxyadenosine Kinase Reveals the Basis for Substrate Specificity.
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): G10 A11 G12 K13 S14 T15 R145
• Binding residue (residue number reindexed from 1): G10 A11 G12 K13 S14 T15 R133
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.1.113: deoxyguanosine kinase.

Gene Ontology

Molecular Function

• GO:0004138 deoxyguanosine kinase activity
• GO:0005524 ATP binding
• GO:0016301 kinase activity
• GO:0019136 deoxynucleoside kinase activity

Biological Process

• GO:0006139 nucleobase-containing compound metabolic process
• GO:0009157 deoxyribonucleoside monophosphate biosynthetic process
• GO:0016310 phosphorylation

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:2jat, PDBe:2jat, PDBj:2jat
• PDBsum: 2jat
• PubMed: 17229440
• UniProt: Q93IG4