PDB entry 4hhz

View 4hhz 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 2.06 freeze date was dated 2013-04-24, with a file datestamp of 2013-04-19.
Experiment type: XRAY
Resolution: 2.72 Å
R-factor: 0.207
AEROSPACI score: 0.27 (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 2.06: d4hhza1, d4hhza2
  • 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 (Start-354)
      • conflict (105)
    Domains in SCOPe 2.06: d4hhzb1, d4hhzb2
  • 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 2.06: d4hhzc1, d4hhzc2
  • 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 2.06: d4hhzd1, d4hhzd2
  • Heterogens: 15S, SO4, HOH

PDB Chain Sequences:

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

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

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4hhzB (B:)
ksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavs
qgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrgg
sddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkier
egecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmv
sksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsan
isldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4hhzC (C:)
ksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavs
qgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrgg
sddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkier
egecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmv
sksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsan
isldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4hhzD (D:)
sklpkpvqdlikmifdvesmkkamveyeiklskrqiqaasnrfytliphddsvqakaeml
dnlldievaysllrgidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevi
difkieregecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkg
iyfadmvsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkt
tpdpsanisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfk