PDB entry 6dje

View 6dje on RCSB PDB site
Description: Crystal structure of Tdp1 catalytic domain in complex with Sigma Aldrich compound CDS010292
Class: hydrolase/hydrolase inhibitor
Keywords: fragment-based drug design, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2018-05-25, 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: 1.71 Å
R-factor: N/A
AEROSPACI score: 0.39 (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: d6djea1, d6djea2
  • 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: d6djeb1, d6djeb2
  • Heterogens: EDO, GNY, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >6djeA (A:)
    npfqfyltrvsgvkpkynsgalhikdilsplfgtlvssaqfnycfdvdwlvkqyppefrk
    kpillvhgdkreakahlhaqakpyenislcqakldiafgthhtkmmlllyeeglrvviht
    snlihadwhqktqgiwlsplypriadgthksgespthfkadlisylmaynapslkewidv
    ihkhdlsetnvyligstpgrfqgsqkdnwghfrlkkllkdhassmpnaeswpvvgqfssv
    gslgadeskwlcsefkesmltlgkessvplyliypsvenvrtslegypaggslpysiqta
    ekqnwlhsyfhkwsaetsgrsnamphiktymrpspdfskiawflvtsanlskaawgalek
    ngtqlmirsyelgvlflpsafgldsfkvkqkffagmatfpvpydlppelygskdrpwiwn
    ipyvkapdthgnmwvp
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >6djeB (B:)
    npfqfyltrvsgvkpkynsgalhikdilsplfgtlvssaqfnycfdvdwlvkqyppefrk
    kpillvhgdkreakahlhaqakpyenislcqakldiafgthhtkmmlllyeeglrvviht
    snlihadwhqktqgiwlsplypriadgthksgespthfkadlisylmaynapslkewidv
    ihkhdlsetnvyligstpgrfqgsqkdnwghfrlkkllkdhassmpnaeswpvvgqfssv
    gslgadeskwlcsefkesmltlgkesssvplyliypsvenvrtslegypaggslpysiqt
    aekqnwlhsyfhkwsaetsgrsnamphiktymrpspdfskiawflvtsanlskaawgale
    kngtqlmirsyelgvlflpsafgldsfkvkqkffagatfpvpydlppelygskdrpwiwn
    ipyvkapdthgnmwvp