PDB entry 4hoe

View 4hoe on RCSB PDB site
Description: Candida albicans dihydrofolate reductase complexed with NADPH and 5-[3-(2,5-dimethoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine (UCP111E)
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: Antifungal Agents, Candida albicans, Drug Design, Enzyme Inhibitors, Fungal Proteins, Structure-Activity Relationship, Tetrahydrofolate Dehydrogenase, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2012-10-22, released 2014-03-19
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-04-09, with a file datestamp of 2014-04-04.
Experiment type: XRAY
Resolution: 1.76 Å
R-factor: 0.183
AEROSPACI score: 0.45 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: dihydrofolate reductase
    Species: Candida albicans [TaxId:5476]
    Gene: DFR1, DHFR
    Database cross-references and differences (RAF-indexed):
    • Uniprot P22906 (0-191)
      • variant (1)
      • variant (83)
    Domains in SCOPe 2.07: d4hoea_
  • Chain 'B':
    Compound: dihydrofolate reductase
    Species: Candida albicans [TaxId:5476]
    Gene: DFR1, DHFR
    Database cross-references and differences (RAF-indexed):
    • Uniprot P22906 (0-191)
      • variant (1)
      • variant (83)
    Domains in SCOPe 2.07: d4hoeb_
  • Heterogens: NDP, 18G, GLY, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4hoeA (A:)
mlkpnvaiivaalkpalgigykgkmpwrlrkeiryfkdvttrttkpntrnavimgrktwe
sipqkfrplpdrlniilsrsyeneiiddniihassiesslnlvsdvervfiiggaeiyne
linnslvshlliteiehpspesiemdtflkfpleswtkqpkselqkfvgdtvleddikeg
dftynytlwtrk

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4hoeB (B:)
mlkpnvaiivaalkpalgigykgkmpwrlrkeiryfkdvttrttkpntrnavimgrktwe
sipqkfrplpdrlniilsrsyeneiiddniihassiesslnlvsdvervfiiggaeiyne
linnslvshlliteiehpspesiemdtflkfpleswtkqpkselqkfvgdtvleddikeg
dftynytlwtrk