PDB entry 4r6e

View 4r6e on RCSB PDB site
Description: Human artd1 (parp1) - catalytic domain in complex with inhibitor niraparib
Class: transferase/transferase inhibitor
Keywords: ADP-RIBOSYLATION, DNA REPAIR, ADP-RIBOSYL TRANSFERASE, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2014-08-25, released 2015-09-09
The last revision prior to the SCOPe 2.06 freeze date was dated 2015-09-09, with a file datestamp of 2015-09-04.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: N/A
AEROSPACI score: 0.27 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Poly [ADP-ribose] polymerase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: ADPRT, PARP1, PPOL
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09874 (1-End)
      • initiating methionine (0)
      • variant (101)
    Domains in SCOPe 2.06: d4r6ea1, d4r6ea2
  • Chain 'B':
    Compound: Poly [ADP-ribose] polymerase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: ADPRT, PARP1, PPOL
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09874 (1-350)
      • variant (101)
    Domains in SCOPe 2.06: d4r6eb1, d4r6eb2
  • Chain 'C':
    Compound: Poly [ADP-ribose] polymerase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: ADPRT, PARP1, PPOL
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09874 (1-End)
      • initiating methionine (0)
      • variant (101)
    Domains in SCOPe 2.06: d4r6ec1, d4r6ec2
  • Chain 'D':
    Compound: Poly [ADP-ribose] polymerase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: ADPRT, PARP1, PPOL
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09874
      • variant (101)
    Domains in SCOPe 2.06: d4r6ed1, d4r6ed2
  • Heterogens: 3JD, SO4, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4r6eA (A:)
    mksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqav
    sqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrg
    gsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkie
    regecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadm
    vsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsa
    nisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfktahhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4r6eA (A:)
    mksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqav
    sqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrg
    gsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkie
    regecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadm
    vsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsa
    nisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4r6eB (B:)
    mksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqav
    sqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrg
    gsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkie
    regecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadm
    vsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsa
    nisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfktahhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4r6eB (B:)
    ksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavs
    qgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrgg
    sddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkier
    egecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmv
    sksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsan
    isldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4r6eC (C:)
    mksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqav
    sqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrg
    gsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkie
    regecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadm
    vsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsa
    nisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfktahhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4r6eC (C:)
    mksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqav
    sqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrg
    gsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkie
    regecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadm
    vsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsa
    nisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfk
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4r6eD (D:)
    mksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqav
    sqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrg
    gsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkie
    regecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadm
    vsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsa
    nisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfktahhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4r6eD (D:)
    sklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavsq
    gssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrggs
    ddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkiere
    gecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmvs
    ksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsani
    sldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfk