PDB entry 4pjt

View 4pjt on RCSB PDB site
Description: Structure of PARP1 catalytic domain bound to inhibitor BMN 673
Class: transferase/transferase inhibitor
Keywords: PARP1, Inhibitor, Complex, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2014-05-12, released 2014-09-24
The last revision prior to the SCOPe 2.06 freeze date was dated 2015-02-25, with a file datestamp of 2015-02-20.
Experiment type: XRAY
Resolution: 2.35 Å
R-factor: 0.19
AEROSPACI score: 0.3 (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): Domains in SCOPe 2.06: d4pjta1, d4pjta2
  • Chain 'B':
    Compound: Poly [ADP-ribose] polymerase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PARP1, ADPRT, PPOL
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4pjtb1, d4pjtb2
  • Chain 'C':
    Compound: Poly [ADP-ribose] polymerase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PARP1, ADPRT, PPOL
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4pjtc1, d4pjtc2
  • Chain 'D':
    Compound: Poly [ADP-ribose] polymerase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PARP1, ADPRT, PPOL
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4pjtd1, d4pjtd2
  • Heterogens: SO4, 2YQ, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4pjtA (A:)
    mgsshhhhhhsglvprgshmksklpkpvqdlikmifdvesmkkamveyeidlqkmplgkl
    skrqiqaaysilsevqqavsqgssdsqildlsnrfytliphdfgmkkppllnnadsvqak
    vemldnlldievaysllrggsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknt
    hatthnaydlevidifkieregecqrykpfkqlhnrrllwhgsrttnfagilsqglriap
    peapvtgymfgkgiyfadmvsksanychtsqgdpiglillgevalgnmyelkhashiskl
    pkgkhsvkglgkttpdpsanisldgvdvplgtgissgvndtsllyneyivydiaqvnlky
    llklkfnfkt
    

    Sequence, based on observed residues (ATOM records): (download)
    >4pjtA (A:)
    ksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavs
    qdsqildlsnrfytliphdfkppllnnadsvqakvemldnlldievaysllrgskdpidv
    nyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkieregecqrykpfk
    qlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmvsksanychtsq
    gdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsanisldgvdvplg
    tgissgvndtsllyneyivydiaqvnlkyllklkfnfk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4pjtB (B:)
    mgsshhhhhhsglvprgshmksklpkpvqdlikmifdvesmkkamveyeidlqkmplgkl
    skrqiqaaysilsevqqavsqgssdsqildlsnrfytliphdfgmkkppllnnadsvqak
    vemldnlldievaysllrggsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknt
    hatthnaydlevidifkieregecqrykpfkqlhnrrllwhgsrttnfagilsqglriap
    peapvtgymfgkgiyfadmvsksanychtsqgdpiglillgevalgnmyelkhashiskl
    pkgkhsvkglgkttpdpsanisldgvdvplgtgissgvndtsllyneyivydiaqvnlky
    llklkfnfkt
    

    Sequence, based on observed residues (ATOM records): (download)
    >4pjtB (B:)
    ksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavs
    dsqildlsnrfytliphdpllnnadsvqakvemldnlldievaysllrgskdpidvnyek
    lktdikvvdrdseeaeiirkyvknthatthnaydlevidifkieregecqrykpfkqlhn
    rrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmvsksanychtsqgdpi
    glillgevalgnmyelkhassklpkgkhsvkglgkttpdpsanisldgvdvplgtgissg
    vndtsllyneyivydiaqvnlkyllklkfnfk
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4pjtC (C:)
    mgsshhhhhhsglvprgshmksklpkpvqdlikmifdvesmkkamveyeidlqkmplgkl
    skrqiqaaysilsevqqavsqgssdsqildlsnrfytliphdfgmkkppllnnadsvqak
    vemldnlldievaysllrggsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknt
    hatthnaydlevidifkieregecqrykpfkqlhnrrllwhgsrttnfagilsqglriap
    peapvtgymfgkgiyfadmvsksanychtsqgdpiglillgevalgnmyelkhashiskl
    pkgkhsvkglgkttpdpsanisldgvdvplgtgissgvndtsllyneyivydiaqvnlky
    llklkfnfkt
    

    Sequence, based on observed residues (ATOM records): (download)
    >4pjtC (C:)
    ksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavs
    qgssdsqildlsnrfytliphdfgmkkppllnnadsvqakvemldnlldievaysllrgg
    sskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkierege
    cqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmvsks
    anychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsanisl
    dgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfk
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4pjtD (D:)
    mgsshhhhhhsglvprgshmksklpkpvqdlikmifdvesmkkamveyeidlqkmplgkl
    skrqiqaaysilsevqqavsqgssdsqildlsnrfytliphdfgmkkppllnnadsvqak
    vemldnlldievaysllrggsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknt
    hatthnaydlevidifkieregecqrykpfkqlhnrrllwhgsrttnfagilsqglriap
    peapvtgymfgkgiyfadmvsksanychtsqgdpiglillgevalgnmyelkhashiskl
    pkgkhsvkglgkttpdpsanisldgvdvplgtgissgvndtsllyneyivydiaqvnlky
    llklkfnfkt
    

    Sequence, based on observed residues (ATOM records): (download)
    >4pjtD (D:)
    sklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavsl
    dlsnrfytliphdppllnnadsvqakvemldnlldievaysllrdpidvnyeklktdikv
    vdrdseeaeiirkyvknthatthnaydlevidifkieregecqrykpfkqlhnrrllwhg
    srttnfagilsqglriappeapvtgymfgkgiyfadmvsksanychtsqgdpiglillge
    valgnmyelkhashisklpkgkhsvkglgkttpdpsanisldgvdvplgtgissgvndts
    llyneyivydiaqvnlkyllklkfnf