PDB entry 4l6s

View 4l6s on RCSB PDB site
Description: PARP complexed with benzo[1,4]oxazin-3-one inhibitor
Class: transferase/transferase inhibitor
Keywords: DNA single-strand break repair sensitize tumors, DNA repair enzyme, DRD, transferase-transferase inhibitor complex
Deposited on 2013-06-12, released 2013-08-07
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-11-12, with a file datestamp of 2014-11-07.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: 0.167
AEROSPACI score: 0.34 (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, PARP 1, PARP1, PPOL
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09874 (3-352)
      • expression tag (1-2)
      • engineered mutation (103)
    Domains in SCOPe 2.07: d4l6sa1, d4l6sa2, d4l6sa3
  • Chain 'B':
    Compound: Poly [ADP-ribose] polymerase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: ADPRT, PARP 1, PARP1, PPOL
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09874 (3-352)
      • expression tag (1-2)
      • engineered mutation (103)
    Domains in SCOPe 2.07: d4l6sb1, d4l6sb2, d4l6sb3
  • Heterogens: 1WQ, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4l6sA (A:)
    ghmksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqq
    avsqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysll
    rggsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifk
    ieregecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfa
    dmvsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdp
    sanisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt
    

    Sequence, based on observed residues (ATOM records): (download)
    >4l6sA (A:)
    hmksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqa
    vsqgsdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllrg
    gsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifkie
    regecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfadm
    vsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdpsa
    nisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4l6sB (B:)
    ghmksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqq
    avsqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysll
    rggsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifk
    ieregecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfa
    dmvsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdp
    sanisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt
    

    Sequence, based on observed residues (ATOM records): (download)
    >4l6sB (B:)
    hmksklpkpvqdlikmifdvesmkkamveyeidlqkmplgklskrqiqaaysilsevqqa
    vsqgssdsqildlsnrfytliphdfgmkkppllnnadsvqakaemldnlldievaysllr
    ggsddsskdpidvnyeklktdikvvdrdseeaeiirkyvknthatthnaydlevidifki
    eregecqrykpfkqlhnrrllwhgsrttnfagilsqglriappeapvtgymfgkgiyfad
    mvsksanychtsqgdpiglillgevalgnmyelkhashisklpkgkhsvkglgkttpdps
    anisldgvdvplgtgissgvndtsllyneyivydiaqvnlkyllklkfnfkt