PDB entry 3qlw

View 3qlw on RCSB PDB site
Description: Candida albicans dihydrofolate reductase complexed with NADPH and 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine (UCP120B)
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: Antifungal Agents, Candida albicans, Drug Design, Enzyme Inhibitors, Fungal Proteins, Models, Molecular Structure, Structure-Activity Relationship, Tetrahydrofolate Dehydrogenase, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2011-02-03, released 2011-07-20
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: 2.5 Å
R-factor: 0.242
AEROSPACI score: 0.22 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Putative uncharacterized protein CaJ7.0360
    Species: Candida albicans [TaxId:5476]
    Gene: CaJ7.0360, CaO19.12607, CaO19.5142, DFR1, DHFR
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3qlwa_
  • Chain 'B':
    Compound: Putative uncharacterized protein CaJ7.0360
    Species: Candida albicans [TaxId:5476]
    Gene: CaJ7.0360, CaO19.12607, CaO19.5142, DFR1, DHFR
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3qlwb_
  • Heterogens: NDP, N22, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3qlwA (A:)
mlkpnvaiivaalkpalgigykgkmpwrlrkeiryfkdvttrttkpntrnavimgrktwe
sipqkfrplpdrlniilsrsyeneiiddniihassiesslnlvsdvervfiiggaeiyne
linnslvshlliteiehpspesiemdtflkfpleswtkqpkselqkfvgdtvleddikeg
dftynytlwtrk

    Sequence, based on observed residues (ATOM records): (download) 
    >3qlwA (A:)
kpnvaiivaalkpalgigykgkmpwrlrkeiryfkdvttrttkpntrnavimgrktwesi
pqkfrplpdrlniilsrsyeneiiddniihassiesslnlvsdvervfiiggaeiyneli
nnslvshlliteiehpspesiemdtflkfpleswtkqpkselqkfvgdtvleddikegdf
tynytlwtrk

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3qlwB (B:)
mlkpnvaiivaalkpalgigykgkmpwrlrkeiryfkdvttrttkpntrnavimgrktwe
sipqkfrplpdrlniilsrsyeneiiddniihassiesslnlvsdvervfiiggaeiyne
linnslvshlliteiehpspesiemdtflkfpleswtkqpkselqkfvgdtvleddikeg
dftynytlwtrk

    Sequence, based on observed residues (ATOM records): (download) 
    >3qlwB (B:)
kpnvaiivaalkpalgigykgkmpwrlrkeiryfkdvttrttkpntrnavimgrktwesi
pqkfrplpdrlniilsrsyeneiiddniihassiesslnlvsdvervfiiggaeiyneli
nnslvshlliteiehpspesiemdtflkfpleswtkqpkselqkfvgdtvleddikegdf
tynytlwtrk