PDB entry 7ont

View 7ont on RCSB PDB site
Description: PARP1 catalytic domain in complex with a selective pyridine carboxamide-based inhibitor (compound 22)
Class: transferase
Keywords: PARP inhibitor, selectivity, structure-based drug design, synthetic lethal therapy, oncology, TRANSFERASE
Deposited on 2021-05-25, released 2021-09-15
The last revision prior to the SCOPe 2.08 freeze date was dated 2021-10-27, with a file datestamp of 2021-10-22.
Experiment type: XRAY
Resolution: 1.85 Å
R-factor: N/A
AEROSPACI score: 0.44 (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 (2-351)
      • expression tag (0-1)
      • engineered mutation (102)
    Domains in SCOPe 2.08: d7onta1, d7onta2
  • 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 (2-351)
      • expression tag (0-1)
      • engineered mutation (102)
    Domains in SCOPe 2.08: d7ontb1, d7ontb2
  • Heterogens: VKQ, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >7ontA (A:)
gsksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqa
vsqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllr
ggsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifki
eregecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfad
mvsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdps
anisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt

    Sequence, based on observed residues (ATOM records): (download) 
    >7ontA (A:)
ksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavs
qgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrgg
sddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkier
egecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmv
sksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsan
isldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >7ontB (B:)
gsksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqa
vsqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllr
ggsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifki
eregecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfad
mvsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdps
anisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt

    Sequence, based on observed residues (ATOM records): (download) 
    >7ontB (B:)
ksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavs
qgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrgg
sddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkier
egecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmv
sksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsan
isldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt