PDB entry 4h96

View 4h96 on RCSB PDB site
Description: Candida albicans dihydrofolate reductase complexed with NADPH and 5-{3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine (UCP1018)
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 2.06 freeze date was dated 2013-11-20, with a file datestamp of 2013-11-15.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: 0.249
AEROSPACI score: 0.2 (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): Domains in SCOPe 2.06: d4h96a_
  • Chain 'B':
    Compound: dihydrofolate reductase
    Species: Candida albicans [TaxId:5476]
    Gene: DFR1, DHFR
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4h96b_
  • Heterogens: NDP, 14Q, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4h96A (A:)
pnvaiivaalkpalgigykgkmpwrlrkeiryfkdvttrttkpntrnavimgrktwesip
qkfrplpdrlniilsrsyeneiiddniihassiesslnlvsdvervfiiggaeiynelin
nslvshlliteiehpspesiemdtflkfpleswtkqpkselqkfvgdtvleddikegdft
ynytlwtrk

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4h96B (B:)
pnvaiivaalkpalgigykgkmpwrlrkeiryfkdvttrttkpntrnavimgrktwesip
qkfrplpdrlniilsrsyeneiiddniihassiesslnlvsdvervfiiggaeiynelin
nslvshlliteiehpspesiemdtflkfpleswtkqpkselqkfvgdtvleddikegdft
ynytlwtrk