PDB entry 4h97

View 4h97 on RCSB PDB site
Description: Candida albicans dihydrofolate reductase complexed with NADPH and 5-{3-[3-methoxy-5-(4-methylphenyl)phenyl]but-1-yn-1-yl}-6-methylpyrimidine-2,4-diamine (UCP111D4M)
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: Antifungal Agents, Candida albicans, Drug Design, Enzyme Inhibitors, Fungal Proteins, Tetrahydrofolate Dehydrogenase, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2012-09-24, released 2013-03-27
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: 2.2 Å
R-factor: 0.264
AEROSPACI score: 0.26 (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 Q5A5E0 (1-189)
      • expression tag (0)
    Domains in SCOPe 2.07: d4h97a1, d4h97a2
  • Chain 'B':
    Compound: dihydrofolate reductase
    Species: Candida albicans [TaxId:5476]
    Gene: DFR1, DHFR
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5A5E0 (1-189)
      • expression tag (0)
    Domains in SCOPe 2.07: d4h97b1, d4h97b2
  • Heterogens: NDP, 53S, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4h97A (A:)
kpnvaiivaalkpalgigykgkmpwrlrkeiryfkdvttrttkpntrnavimgrktwesi
pqkfrplpdrlniilsrsyeneiiddniihassiesslnlvsdvervfiiggaeiyneli
nnslvshlliteiehpspesiemdtflkfpleswtkqpkselqkfvgdtvleddikegdf
tynytlwtrk

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4h97B (B:)
kpnvaiivaalkpalgigykgkmpwrlrkeiryfkdvttrttkpntrnavimgrktwesi
pqkfrplpdrlniilsrsyeneiiddniihassiesslnlvsdvervfiiggaeiyneli
nnslvshlliteiehpspesiemdtflkfpleswtkqpkselqkfvgdtvleddikegdf
tynytlwtrk