PDB entry 6vko

View 6vko on RCSB PDB site
Description: Crystal Structure of human PARP-1 CAT domain bound to inhibitor UKTT15
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 2.07 freeze date was dated 2020-06-17, with a file datestamp of 2020-06-12.
Experiment type: XRAY
Resolution: 2.8 Å
R-factor: N/A
AEROSPACI score: 0.15 (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 2.07: d6vkoa1, d6vkoa2
  • 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 2.07: d6vkob1, d6vkob2
  • 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 2.07: d6vkoc1, d6vkoc2
  • 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 2.07: d6vkod1, d6vkod2
  • Heterogens: L1S, SO4, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >6vkoA (A:)
    klpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavsqg
    ssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrggid
    vnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkieregecqrykpf
    kqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmvsksanychts
    qgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsanisldgvdvpl
    gtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >6vkoB (B:)
    klpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavsqg
    ssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrggid
    vnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkieregecqrykpf
    kqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmvsksanychts
    qgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsanisldgvdvpl
    gtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >6vkoC (C:)
    klpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavsqg
    ssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrggid
    vnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkieregecqrykpf
    kqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmvsksanychts
    qgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsanisldgvdvpl
    gtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >6vkoD (D:)
    klpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavsqg
    ssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrggid
    vnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkieregecqrykpf
    kqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmvsksanychts
    qgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsanisldgvdvpl
    gtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt