PDB entry 3roa
View 3roa on RCSB PDB site
Description: Candida glabrata dihydrofolate reductase complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1004)
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: Antifungal Agents, Candida glabrata, Drug Design, Enzyme Inhibitors, Fungal Proteins, Models, Molecular Structure, Structure-Activity Relationship, Tetrahydrofolate Dehydrogenase, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on
2011-04-25, released
2012-05-09
The last revision prior to the SCOPe 2.07 freeze date was dated
2017-11-08, with a file datestamp of
2017-11-03.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: N/A
AEROSPACI score: 0.25
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: Strain CBS138 chromosome J complete sequence
Species: Candida glabrata [TaxId:5478]
Gene: CAGL0J03894g, DHFR
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.07: d3roaa1, d3roaa2 - Chain 'B':
Compound: Strain CBS138 chromosome J complete sequence
Species: Candida glabrata [TaxId:5478]
Gene: CAGL0J03894g, DHFR
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.07: d3roab1, d3roab2 - Heterogens: NDP, 06V, CL, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence; same for both SEQRES and ATOM records: (download)
>3roaA (A:)
kvpvvgivaallpemgigfqgnlpwrlakemkyfrevttltndnskqnvvimgrktwesi
pqkfrplpkrinvvvsrsfdgelrkvedgiyhsnslrncltalqsslanenkieriyiig
ggeiyrqsmdladhwlitkimplpettipqmdtflqkqeleqrfydnsdklvdflpssiq
legrltsqewngelvkglpvqekgyqfyftlytkklehhhhhhhh
- Chain 'B':
Sequence; same for both SEQRES and ATOM records: (download)
>3roaB (B:)
kvpvvgivaallpemgigfqgnlpwrlakemkyfrevttltndnskqnvvimgrktwesi
pqkfrplpkrinvvvsrsfdgelrkvedgiyhsnslrncltalqsslanenkieriyiig
ggeiyrqsmdladhwlitkimplpettipqmdtflqkqeleqrfydnsdklvdflpssiq
legrltsqewngelvkglpvqekgyqfyftlytkklehhhhhhhh