PDB entry 5xsu

View 5xsu on RCSB PDB site
Description: novel orally efficacious inhibitors complexed with PARP1
Class: transferase/transferase inhibitor
Keywords: complex structure, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2017-06-15, released 2018-04-25
The last revision prior to the SCOPe 2.08 freeze date was dated 2018-04-25, with a file datestamp of 2018-04-20.
Experiment type: XRAY
Resolution: 2.4 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 (5-End)
      • variant (105)
    Domains in SCOPe 2.08: d5xsua1, d5xsua2
  • 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 (5-End)
      • variant (105)
    Domains in SCOPe 2.08: d5xsub1, d5xsub2
  • Chain 'C':
    Compound: Poly [ADP-ribose] polymerase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PARP1, ADPRT, PPOL
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09874 (5-354)
      • variant (105)
    Domains in SCOPe 2.08: d5xsuc1, d5xsuc2
  • Chain 'D':
    Compound: Poly [ADP-ribose] polymerase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PARP1, ADPRT, PPOL
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09874
      • variant (105)
    Domains in SCOPe 2.08: d5xsud1, d5xsud2
  • Heterogens: SO4, 8E3, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5xsuA (A:)
gplgsksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsev
qqavsqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievays
llrggsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidi
fkieregecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiy
fadmvsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttp
dpsanisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt

    Sequence, based on observed residues (ATOM records): (download) 
    >5xsuA (A:)
ksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavs
qgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrgg
sskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkierege
cqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmvsks
anychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsanisl
dgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfk

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5xsuB (B:)
gplgsksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsev
qqavsqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievays
llrggsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidi
fkieregecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiy
fadmvsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttp
dpsanisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt

    Sequence, based on observed residues (ATOM records): (download) 
    >5xsuB (B:)
ksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqaqg
ssdsqildlsnrfytliphdfkkppllnnadsvqakaemldnlldievaysllrggkdpi
dvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkieregecqrykp
fkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadmvsksanycht
sqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsanisldgvdvp
lgtgissgvndtsllyneyivydiaqvnlkyllklkfnfk

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >5xsuC (C:)
gplgsksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsev
qqavsqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievays
llrggsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidi
fkieregecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiy
fadmvsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttp
dpsanisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt

    Sequence, based on observed residues (ATOM records): (download) 
    >5xsuC (C:)
ksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqavl
snrfytliphdppllnnadsvqakaemldnlldievaysllrgsskdpidvnyeklktdi
kvvdrdseeaeiirkyvknthatthnaydlevidifkieregecqrykpfkqlhnrrllw
hgsrttnfagilsqglriappeapvtgymfgkgiyfadmvsksanychtsqgdpiglill
gevalgnmyelkhashklpkgkhsvkglgkttpdpsanisldgvdvplgtgissgvndts
llyneyivydiaqvnlkyllklkfnfkt

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >5xsuD (D:)
gplgsksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsev
qqavsqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievays
llrggsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidi
fkieregecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiy
fadmvsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttp
dpsanisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt

    Sequence, based on observed residues (ATOM records): (download) 
    >5xsuD (D:)
lpkpvqdlikmifdvesmkkamveyeikmlgklskrqiqaaysilevqqavdsqildlsn
rytliphdppllnndsvqakaemldnlldievaysllrgsskdpidvnyeklktdikvvd
rdseeaeiirkyvknthatthnaydlevidifkieregecqrykpfkqlhnrrllwhgsr
ttnfagilsqglriappeapvtgymfgkgiyfadmvsksanychtsqgdpiglillgeva
lgnmyelkhashisklpkgkhsvkglgkttpdpsanisldgvdvplgtgissgvndtsll
yneyivydiaqvnlkyllklkfnf