Structure of PDB 7plj Chain A Binding Site BS05

Receptor Information

>7plj Chain A (length=266) Species: 243230 (Deinococcus radiodurans R1 = ATCC 13939 = DSM 20539)

MDIDNYRVKPGKRVKLSDWATNDDAGLSKEEGQAQTAKLAGELAEWQERL
YAEGKQSLLLILQARDAAGKDGAVKKVIGAFNPAGVQITSFKQPSAEELS
HDFLWRIHQKAPAKGYVGVFNRSQYEDVLVTRVYDMIDDKTAKRRLEHIR
HFEELLTDNATRIVKVYLHISPEEQKERLQARLDNPGKHWKFNPGDLKDR
SNWDKFNDVYEDALTTSTDDAPWYVVPADRKWYRDLVLSHILLGALKDMN
PQFPAIDYDPSKVVIH

Ligand information

• Ligand ID: 7TT
• InChI: InChI=1S/H6O13P4/c1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h(H,7,8)(H,9,10)(H2,1,2,3)(H2,4,5,6)
• InChIKey: YDHWWBZFRZWVHO-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O
  OpenEye OEToolkits 2.0.7: OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
• Formula: H6 O13 P4
• Name: Tetraphosphate;
  [oxidanyl(phosphonooxy)phosphoryl] phosphono hydrogen phosphate;
  [oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
• ZINC: ZINC000256012799
• PDB chain: 7plj Chain A Residue 305

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7plj Structure of Polyphosphate kinase 2 from Deinococcus radiodurans, in complex with ATP and polyphosphates.
• Resolution: 1.64 Å
• Binding residue (original residue number in PDB): K29 K231 W232
• Binding residue (residue number reindexed from 1): K29 K231 W232
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0008976 polyphosphate kinase activity
• GO:0016776 phosphotransferase activity, phosphate group as acceptor
• GO:0046872 metal ion binding

Biological Process

• GO:0006797 polyphosphate metabolic process

External links

• PDB: RCSB:7plj, PDBe:7plj, PDBj:7plj
• PDBsum: 7plj
• UniProt: Q9RY20