PDB entry 3qls
View 3qls on RCSB PDB site
Description: Candida albicans dihydrofolate reductase complexed with NADPH and 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP115A)
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 2.02 freeze date was dated
2011-09-28, with a file datestamp of
2011-09-23.
Experiment type: XRAY
Resolution: 1.73 Å
R-factor: 0.171
AEROSPACI score: 0.56
(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 2.02: d3qlsa_ - 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 2.02: d3qlsb_ - Heterogens: NAP, 55V, GLY, GOL, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence; same for both SEQRES and ATOM records: (download)
>3qlsA (A:)
mlkpnvaiivaalkpalgigykgkmpwrlrkeiryfkdvttrttkpntrnavimgrktwe
sipqkfrplpdrlniilsrsyeneiiddniihassiesslnlvsdvervfiiggaeiyne
linnslvshlliteiehpspesiemdtflkfpleswtkqpkselqkfvgdtvleddikeg
dftynytlwtrk
- Chain 'B':
Sequence; same for both SEQRES and ATOM records: (download)
>3qlsB (B:)
mlkpnvaiivaalkpalgigykgkmpwrlrkeiryfkdvttrttkpntrnavimgrktwe
sipqkfrplpdrlniilsrsyeneiiddniihassiesslnlvsdvervfiiggaeiyne
linnslvshlliteiehpspesiemdtflkfpleswtkqpkselqkfvgdtvleddikeg
dftynytlwtrk