PDB entry 5kpq

View 5kpq on RCSB PDB site
Description: Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
Class: transferase/transferase inhibitor
Keywords: Inhibitor, Complex, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2016-07-05, released 2016-12-14
The last revision prior to the SCOPe 2.07 freeze date was dated 2016-12-14, with a file datestamp of 2016-12-09.
Experiment type: XRAY
Resolution: 2.55 Å
R-factor: N/A
AEROSPACI score: 0.2 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Poly [ADP-ribose] polymerase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PARP1, ADPRT, PPOL
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09874 (0-349)
      • engineered mutation (100)
    Domains in SCOPe 2.07: d5kpqa1, d5kpqa2
  • Chain 'B':
    Compound: Poly [ADP-ribose] polymerase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PARP1, ADPRT, PPOL
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09874 (0-349)
      • engineered mutation (100)
    Domains in SCOPe 2.07: d5kpqb1, d5kpqb2
  • Heterogens: 6X2, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5kpqA (A:)
    ksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavs
    qgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrgg
    sddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkier
    egecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmv
    sksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsan
    isldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt
    

    Sequence, based on observed residues (ATOM records): (download)
    >5kpqA (A:)
    ksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavs
    qgsdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrggs
    ddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkiere
    gecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmvs
    ksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsani
    sldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5kpqB (B:)
    ksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavs
    qgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrgg
    sddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkier
    egecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmv
    sksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsan
    isldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt
    

    Sequence, based on observed residues (ATOM records): (download)
    >5kpqB (B:)
    ksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavs
    qgsdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrggs
    ddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkiere
    gecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmvs
    ksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsani
    sldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt