PDB entry 4gv7

View 4gv7 on RCSB PDB site
Description: Human ARTD1 (PARP1) - Catalytic domain in complex with inhibitor ME0328
Class: transferase/transferase inhibitor
Keywords: nad, ADP-ribose, parp1, artd1, artd transferase domain, ADP-ribosylation, transferase-transferase inhibitor complex, ADP-ribose transferase
Deposited on 2012-08-30, released 2013-06-19
The last revision prior to the SCOPe 2.06 freeze date was dated 2013-10-16, with a file datestamp of 2013-10-11.
Experiment type: XRAY
Resolution: 2.89 Å
R-factor: 0.215
AEROSPACI score: 0.23 (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
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09874
      • see remark 999 (101)
    Domains in SCOPe 2.06: d4gv7a1, d4gv7a2
  • Chain 'B':
    Compound: Poly [ADP-ribose] polymerase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PARP1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09874
      • see remark 999 (101)
    Domains in SCOPe 2.06: d4gv7b1, d4gv7b2
  • Chain 'C':
    Compound: Poly [ADP-ribose] polymerase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PARP1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09874
      • see remark 999 (101)
    Domains in SCOPe 2.06: d4gv7c1, d4gv7c2
  • Chain 'D':
    Compound: Poly [ADP-ribose] polymerase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PARP1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09874
      • see remark 999 (101)
    Domains in SCOPe 2.06: d4gv7d1, d4gv7d2
  • Heterogens: MEW

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4gv7A (A:)
    mksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqav
    sqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrg
    gsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkie
    regecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadm
    vsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsa
    nisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfktahhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4gv7A (A:)
    sklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavsq
    gssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrggs
    ddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkiere
    gecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmvs
    ksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsani
    sldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4gv7B (B:)
    mksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqav
    sqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrg
    gsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkie
    regecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadm
    vsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsa
    nisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfktahhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4gv7B (B:)
    sklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavsq
    gssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrggs
    ddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkiere
    gecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmvs
    ksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsani
    sldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfk
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4gv7C (C:)
    mksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqav
    sqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrg
    gsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkie
    regecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadm
    vsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsa
    nisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfktahhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4gv7C (C:)
    sklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavsq
    gssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrggs
    ddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkiere
    gecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmvs
    ksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsani
    sldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfk
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4gv7D (D:)
    mksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqav
    sqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrg
    gsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkie
    regecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadm
    vsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsa
    nisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfktahhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4gv7D (D:)
    sklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavsq
    gssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrggs
    ddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkiere
    gecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmvs
    ksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsani
    sldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfk