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 2.08 freeze date was dated 2017-11-22, with a file datestamp of 2017-11-17.
Experiment type: XRAY
Resolution: 2.35 Å
R-factor: N/A
AEROSPACI score: 0.24 (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 2.08: 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 2.08: 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 2.08: 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 2.08: 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