PDB entry 4h95
View 4h95 on RCSB PDB site
Description: Candida albicans dihydrofolate reductase complexed with NADPH and 6-ethyl-5-{3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine (UCP1006)
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: 2.6 Å
R-factor: 0.241
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 2.07: d4h95a_ - Chain 'B':
Compound: dihydrofolate reductase
Species: Candida albicans [TaxId:5476]
Gene: DFR1, DHFR
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.07: d4h95b_ - Heterogens: NDP, 06U, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence; same for both SEQRES and ATOM records: (download)
>4h95A (A:)
pnvaiivaalkpalgigykgkmpwrlrkeiryfkdvttrttkpntrnavimgrktwesip
qkfrplpdrlniilsrsyeneiiddniihassiesslnlvsdvervfiiggaeiynelin
nslvshlliteiehpspesiemdtflkfpleswtkqpkselqkfvgdtvleddikegdft
ynytlwtrk
- Chain 'B':
Sequence; same for both SEQRES and ATOM records: (download)
>4h95B (B:)
pnvaiivaalkpalgigykgkmpwrlrkeiryfkdvttrttkpntrnavimgrktwesip
qkfrplpdrlniilsrsyeneiiddniihassiesslnlvsdvervfiiggaeiynelin
nslvshlliteiehpspesiemdtflkfpleswtkqpkselqkfvgdtvleddikegdft
ynytlwtrk