PDB entry 3nu0

View 3nu0 on RCSB PDB site
Description: Design, Synthesis, Biological Evaluation and X-ray Crystal Structure of Novel Classical 6,5,6-TricyclicBenzo[4,5]thieno[2,3-d]pyrimidines as Dual Thymidylate Synthase and Dihydrofolate Reductase Inhibitors
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: dihydrofolate reductase, cyclized inhibitors, OXIDOREDUCTASE hDHFR-264-NADPH, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2010-07-06, released 2011-05-25
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-11-08, with a file datestamp of 2017-11-03.
Experiment type: XRAY
Resolution: 1.35 Å
R-factor: N/A
AEROSPACI score: 0.56 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Dihydrofolate reducatase
    Species: Homo sapiens [TaxId:9606]
    Gene: DHFR, DHFRP1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3nu0a_
  • Heterogens: NDP, 3TU, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >3nu0A (A:)
    vgslncivavsqnmgigkngdlpwpplrnefryfqrmtttssvegkqnlvimgkktwfsi
    peknrplkgrinlvlsrelkeppqgahflsrslddalklteqpelankvdmvwivggssv
    ykeamnhpghlklfvtrimqdfesdtffpeidlekykllpeypgvlsdvqeekgikykfe
    vyeknd