PDB entry 6dih

View 6dih on RCSB PDB site
Description: Crystal structure of Tdp1 catalytic domain in complex with Sigma Aldrich compound PH004941
Class: hydrolase/hydrolase inhibitor
Keywords: fragment-based drug design, hydrolase-hydrolase inhibitor complex
Deposited on 2018-05-23, 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: 1.78 Å
R-factor: N/A
AEROSPACI score: 0.37 (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: d6diha1, d6diha2
  • 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: d6dihb1, d6dihb2
  • Heterogens: GJS, EDO, HOH

PDB Chain Sequences:

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

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

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

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