PDB entry 3i8a

View 3i8a on RCSB PDB site
Description: Staphylococcus aureus H30N, F98Y Dihydrofolate Reductase complexed with NADPH and 2,4-diamino-5-(3-(2,5-dimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120B)
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: NADPH, One-carbon metabolism, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2009-07-09, released 2010-02-09
The last revision prior to the SCOPe 2.07 freeze date was dated 2013-11-20, with a file datestamp of 2013-11-15.
Experiment type: XRAY
Resolution: 2.41 Å
R-factor: 0.208
AEROSPACI score: 0.26 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'X':
    Compound: dihydrofolate reductase
    Species: Staphylococcus aureus [TaxId:1280]
    Gene: dfrB, folA
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A017 (0-156)
      • engineered (29)
      • engineered (97)
    Domains in SCOPe 2.07: d3i8ax_
  • Heterogens: N22, NDP, HOH

PDB Chain Sequences:

  • Chain 'X':
    Sequence; same for both SEQRES and ATOM records: (download)
    >3i8aX (X:)
    tlsilvahdlqrvigfenqlpwhlpndlknvkklstghtlvmgrktfesigkplpnrrnv
    vltsdtsfnvegvdvihsiediyqlpghvfifggqtlyeemidkvddmyitviegkfrgd
    tffppytfedwevassvegkldekntiphtflhlirk