PDB entry 6vkk

View 6vkk on RCSB PDB site
Description: Crystal Structure of human PARP-1 CAT domain bound to inhibitor rucaparib
Class: transferase/inhibitor
Keywords: PARP-1, poly(ADP-ribose) polymerase, PARP inhibitor, PARP1, ARTD1, TRANSFERASE, TRANSFERASE-INHIBITOR complex
Deposited on 2020-01-21, released 2020-06-17
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-06-17, with a file datestamp of 2020-06-12.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: N/A
AEROSPACI score: 0.29 (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 (Start-371)
      • variant (122)
    Domains in SCOPe 2.08: d6vkka1, d6vkka2
  • 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 (Start-371)
      • variant (122)
    Domains in SCOPe 2.08: d6vkkb1, d6vkkb2
  • Chain 'C':
    Compound: Poly [ADP-ribose] polymerase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PARP1, ADPRT, PPOL
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09874 (Start-371)
      • variant (122)
    Domains in SCOPe 2.08: d6vkkc1, d6vkkc2
  • Chain 'D':
    Compound: Poly [ADP-ribose] polymerase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PARP1, ADPRT, PPOL
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09874 (Start-371)
      • variant (122)
    Domains in SCOPe 2.08: d6vkkd1, d6vkkd2
  • Heterogens: RPB, GOL, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6vkkA (A:)
    mgsshhhhhhssglvprgshmtksklpkpvqdlikmifdvesmkkamveyeidlqkmplg
    klskrqiqaaysilsevqqavsqgssdsqildlsnrfytliphdfgmkkppllnnadsvq
    akaemldnlldievaysllrggsddsskdpidvnyeklktdikvvdrdseeaeiirkyvk
    nthatthnaydlevidifkieregecqrykpfkqlhnrrllwhgsrttnfagilsqglri
    appeapvtgymfgkgiyfadmvsksanychtsqgdpiglillgevalgnmyelkhashis
    klpkgkhsvkglgkttpdpsanisldgvdvplgtgissgvndtsllyneyivydiaqvnl
    kyllklkfnfkt
    

    Sequence, based on observed residues (ATOM records): (download)
    >6vkkA (A:)
    ksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavs
    qgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrgs
    kdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkieregecq
    rykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmvsksan
    ychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsanisldg
    vdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6vkkB (B:)
    mgsshhhhhhssglvprgshmtksklpkpvqdlikmifdvesmkkamveyeidlqkmplg
    klskrqiqaaysilsevqqavsqgssdsqildlsnrfytliphdfgmkkppllnnadsvq
    akaemldnlldievaysllrggsddsskdpidvnyeklktdikvvdrdseeaeiirkyvk
    nthatthnaydlevidifkieregecqrykpfkqlhnrrllwhgsrttnfagilsqglri
    appeapvtgymfgkgiyfadmvsksanychtsqgdpiglillgevalgnmyelkhashis
    klpkgkhsvkglgkttpdpsanisldgvdvplgtgissgvndtsllyneyivydiaqvnl
    kyllklkfnfkt
    

    Sequence, based on observed residues (ATOM records): (download)
    >6vkkB (B:)
    ksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavs
    qgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrgs
    kdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkieregecq
    rykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmvsksan
    ychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsanisldg
    vdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >6vkkC (C:)
    mgsshhhhhhssglvprgshmtksklpkpvqdlikmifdvesmkkamveyeidlqkmplg
    klskrqiqaaysilsevqqavsqgssdsqildlsnrfytliphdfgmkkppllnnadsvq
    akaemldnlldievaysllrggsddsskdpidvnyeklktdikvvdrdseeaeiirkyvk
    nthatthnaydlevidifkieregecqrykpfkqlhnrrllwhgsrttnfagilsqglri
    appeapvtgymfgkgiyfadmvsksanychtsqgdpiglillgevalgnmyelkhashis
    klpkgkhsvkglgkttpdpsanisldgvdvplgtgissgvndtsllyneyivydiaqvnl
    kyllklkfnfkt
    

    Sequence, based on observed residues (ATOM records): (download)
    >6vkkC (C:)
    ksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavs
    qgssdsqildlsnrfytliphdppllnnadsvqakaemldnlldievaysllrgskdpid
    vnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkieregecqrykpf
    kqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmvsksanychts
    qgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsanisldgvdvpl
    gtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >6vkkD (D:)
    mgsshhhhhhssglvprgshmtksklpkpvqdlikmifdvesmkkamveyeidlqkmplg
    klskrqiqaaysilsevqqavsqgssdsqildlsnrfytliphdfgmkkppllnnadsvq
    akaemldnlldievaysllrggsddsskdpidvnyeklktdikvvdrdseeaeiirkyvk
    nthatthnaydlevidifkieregecqrykpfkqlhnrrllwhgsrttnfagilsqglri
    appeapvtgymfgkgiyfadmvsksanychtsqgdpiglillgevalgnmyelkhashis
    klpkgkhsvkglgkttpdpsanisldgvdvplgtgissgvndtsllyneyivydiaqvnl
    kyllklkfnfkt
    

    Sequence, based on observed residues (ATOM records): (download)
    >6vkkD (D:)
    ksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavs
    qgssdsqildlsnrfytliphppllnnadsvqakaemldnlldievaysllrgskdpidv
    nyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkieregecqrykpfk
    qlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmvsksanychtsq
    gdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsanisldgvdvplg
    tgissgvndtsllyneyivydiaqvnlkyllklkfnfkt