Structure of PDB 7plj Chain A Binding Site BS04

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: 3PO
• InChI: InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)
• InChIKey: UNXRWKVEANCORM-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O
  OpenEye OEToolkits 1.5.0: OP(=O)(O)OP(=O)(O)OP(=O)(O)O
  ACDLabs 10.04: O=P(OP(=O)(O)OP(=O)(O)O)(O)O
• Formula: H5 O10 P3
• Name: TRIPHOSPHATE
• ChEMBL: CHEMBL1230191
• DrugBank: DB03896
• ZINC: ZINC000006827739
• PDB chain: 7plj Chain A Residue 304

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): D71 G72 K75 K188 K191 K231 R234
• Binding residue (residue number reindexed from 1): D71 G72 K75 K188 K191 K231 R234
• 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