PDB entry 4hhy

View 4hhy on RCSB PDB site
Description: Crystal structure of PARP catalytic domain in complex with novel inhibitors
Class: transferase/transferase inhibitor
Keywords: Polymerase, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2012-10-10, released 2013-03-27
The last revision prior to the SCOPe 2.08 freeze date was dated 2013-04-24, with a file datestamp of 2013-04-19.
Experiment type: XRAY
Resolution: 2.36 Å
R-factor: 0.24
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: ADPRT, PARP1, PPOL
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09874
      • conflict (105)
    Domains in SCOPe 2.08: d4hhya1, d4hhya2
  • Chain 'B':
    Compound: Poly [ADP-ribose] polymerase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: ADPRT, PARP1, PPOL
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09874
      • conflict (105)
    Domains in SCOPe 2.08: d4hhyb1, d4hhyb2
  • Chain 'C':
    Compound: Poly [ADP-ribose] polymerase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: ADPRT, PARP1, PPOL
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09874 (Start-354)
      • conflict (105)
    Domains in SCOPe 2.08: d4hhyc1, d4hhyc2
  • Chain 'D':
    Compound: Poly [ADP-ribose] polymerase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: ADPRT, PARP1, PPOL
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09874
      • conflict (105)
    Domains in SCOPe 2.08: d4hhyd1, d4hhyd2
  • Heterogens: 15R, SO4, PEG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4hhyA (A:)
gplgsksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsev
qqavsqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievays
llrggsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidi
fkieregecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiy
fadmvsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttp
dpsanisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt

    Sequence, based on observed residues (ATOM records): (download) 
    >4hhyA (A:)
ksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavs
qgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrgg
sddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkier
egecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmv
sksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsan
isldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfk

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4hhyB (B:)
gplgsksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsev
qqavsqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievays
llrggsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidi
fkieregecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiy
fadmvsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttp
dpsanisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt

    Sequence, based on observed residues (ATOM records): (download) 
    >4hhyB (B:)
sklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavsq
gssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrdpi
dvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkieregecqrykp
fkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmvsksanycht
sqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsanisldgvdvp
lgtgissgvndtsllyneyivydiaqvnlkyllklkfnfk

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4hhyC (C:)
gplgsksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsev
qqavsqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievays
llrggsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidi
fkieregecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiy
fadmvsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttp
dpsanisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt

    Sequence, based on observed residues (ATOM records): (download) 
    >4hhyC (C:)
ksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavd
sqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrggsddss
kdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkieregecq
rykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmvsksan
ychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsanisldg
vdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4hhyD (D:)
gplgsksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsev
qqavsqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievays
llrggsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidi
fkieregecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiy
fadmvsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttp
dpsanisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt

    Sequence, based on observed residues (ATOM records): (download) 
    >4hhyD (D:)
lpkpvqdlikmifdvkamvedlqgklskrqiqaaysilsevqqavsqgssdsqildlsnr
fytliphdnnadsvqakaemldnlldievayslpidvnyeklktdikvvdrdseeaeiir
kyvknthatthnaydlevidifkieregecqrykpfkqlhnrrllwhgsrttnfagilsq
glriappeapvtgymfgkgiyfadmvsksanychtsqgdpiglillgevalgnmyelkha
shisklpkgkhsvkglgkttpdpsanisldgvdvplgtgissgvndtsllyneyivydia
qvnlkyllk