PDB entry 7aab

View 7aab on RCSB PDB site
Description: Crystal structure of the catalytic domain of human PARP1 in complex with inhibitor EB-47
Class: transferase
Keywords: PARP inhibitor, PARylation, substrate mimetic, inhibitor, NADH analog, EB47, TRANSFERASE
Deposited on 2020-09-04, released 2021-01-13
The last revision prior to the SCOPe 2.08 freeze date was dated 2021-03-10, with a file datestamp of 2021-03-05.
Experiment type: XRAY
Resolution: 2.8 Å
R-factor: N/A
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, ADPRT, PPOL
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09874 (2-351)
      • engineered mutation (102)
    Domains in SCOPe 2.08: d7aaba1, d7aaba2
  • 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)
      • engineered mutation (102)
    Domains in SCOPe 2.08: d7aabb1, d7aabb2
  • Heterogens: UHB, SO4, HOH

PDB Chain Sequences:

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

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

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

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