PDB entry 6dhu

View 6dhu on RCSB PDB site
Description: Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT0911 from cocktail soak
Class: hydrolase/hydrolase inhibitor
Keywords: fragment-based drug design, hydrolase-hydrolase inhibitor complex
Deposited on 2018-05-21, released 2019-05-29
The last revision prior to the SCOPe 2.07 freeze date was dated 2019-05-29, with a file datestamp of 2019-05-24.
Experiment type: XRAY
Resolution: 1.63 Å
R-factor: N/A
AEROSPACI score: 0.42 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: tyrosyl-DNA phosphodiesterase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: TDP1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6dhua1, d6dhua2
  • Chain 'B':
    Compound: tyrosyl-DNA phosphodiesterase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: TDP1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6dhub1, d6dhub2
  • Heterogens: GHM, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6dhuA (A:)
    sgegqdiwdmldkgnpfqfyltrvsgvkpkynsgalhikdilsplfgtlvssaqfnycfd
    vdwlvkqyppefrkkpillvhgdkreakahlhaqakpyenislcqakldiafgthhtkmm
    lllyeeglrvvihtsnlihadwhqktqgiwlsplypriadgthksgespthfkadlisyl
    maynapslkewidvihkhdlsetnvyligstpgrfqgsqkdnwghfrlkkllkdhassmp
    naeswpvvgqfssvgslgadeskwlcsefkesmltlgkesktpgkssvplyliypsvenv
    rtslegypaggslpysiqtaekqnwlhsyfhkwsaetsgrsnamphiktymrpspdfski
    awflvtsanlskaawgalekngtqlmirsyelgvlflpsafgldsfkvkqkffagsqepm
    atfpvpydlppelygskdrpwiwnipyvkapdthgnmwvps
    

    Sequence, based on observed residues (ATOM records): (download)
    >6dhuA (A:)
    npfqfyltrvsgvkpkynsgalhikdilsplfgtlvssaqfnycfdvdwlvkqyppefrk
    kpillvhgdkreakahlhaqakpyenislcqakldiafgthhtkmmlllyeeglrvviht
    snlihadwhqktqgiwlsplypriadgthksgespthfkadlisylmaynapslkewidv
    ihkhdlsetnvyligstpgrfqgsqkdnwghfrlkkllkdhassmpnaeswpvvgqfssv
    gslgadeskwlcsefkesmltlgkesssvplyliypsvenvrtslegypaggslpysiqt
    aekqnwlhsyfhkwsaetsgrsnamphiktymrpspdfskiawflvtsanlskaawgale
    kngtqlmirsyelgvlflpsafgldsfkvkqkffagmatfpvpydlppelygskdrpwiw
    nipyvkapdthgnmwvp
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6dhuB (B:)
    sgegqdiwdmldkgnpfqfyltrvsgvkpkynsgalhikdilsplfgtlvssaqfnycfd
    vdwlvkqyppefrkkpillvhgdkreakahlhaqakpyenislcqakldiafgthhtkmm
    lllyeeglrvvihtsnlihadwhqktqgiwlsplypriadgthksgespthfkadlisyl
    maynapslkewidvihkhdlsetnvyligstpgrfqgsqkdnwghfrlkkllkdhassmp
    naeswpvvgqfssvgslgadeskwlcsefkesmltlgkesktpgkssvplyliypsvenv
    rtslegypaggslpysiqtaekqnwlhsyfhkwsaetsgrsnamphiktymrpspdfski
    awflvtsanlskaawgalekngtqlmirsyelgvlflpsafgldsfkvkqkffagsqepm
    atfpvpydlppelygskdrpwiwnipyvkapdthgnmwvps
    

    Sequence, based on observed residues (ATOM records): (download)
    >6dhuB (B:)
    npfqfyltrvsgvkpkynsgalhikdilsplfgtlvssaqfnycfdvdwlvkqyppefrk
    kpillvhgdkreakahlhaqakpyenislcqakldiafgthhtkmmlllyeeglrvviht
    snlihadwhqktqgiwlsplypriadgthksgespthfkadlisylmaynapslkewidv
    ihkhdlsetnvyligstpgrfqgsqkdnwghfrlkkllkdhassmpnaeswpvvgqfssv
    gslgadeskwlcsefkesmltlgkesssvplyliypsvenvrtslegypaggslpysiqt
    aekqnwlhsyfhkwsaetsgrsnamphiktymrpspdfskiawflvtsanlskaawgale
    kngtqlmirsyelgvlflpsafgldsfkvkqkffagpmatfpvpydlppelygskdrpwi
    wnipyvkapdthgnmwvp