PDB entry 3qly

View 3qly on RCSB PDB site
Description: Candida glabrata 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 glabrata, 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 2.05 freeze date was dated 2013-11-20, with a file datestamp of 2013-11-15.
Experiment type: XRAY
Resolution: 2.52 Å
R-factor: 0.214
AEROSPACI score: 0.24 (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):
    • Uniprot Q6FPH0 (Start-216)
      • expression tag (217-226)
    Domains in SCOPe 2.05: d3qlya_
  • Chain 'B':
    Compound: Strain CBS138 chromosome J complete sequence
    Species: Candida glabrata [TaxId:5478]
    Gene: CAGL0J03894g, DHFR
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q6FPH0 (Start-216)
      • expression tag (217-226)
    Domains in SCOPe 2.05: d3qlyb_
  • Heterogens: NDP, 55V, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3qlyA (A:)
mskvpvvgivaallpemgigfqgnlpwrlakemkyfrevttltndnskqnvvimgrktwe
sipqkfrplpkrinvvvsrsfdgelrkvedgiyhsnslrncltalqsslanenkieriyi
igggeiyrqsmdladhwlitkimplpettipqmdtflqkqeleqrfydnsdklvdflpss
iqlegrltsqewngelvkglpvqekgyqfyftlytkklehhhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3qlyA (A:)
kvpvvgivaallpemgigfqgnlpwrlakemkyfrevttltndnskqnvvimgrktwesi
pqkfrplpkrinvvvsrsfdgelrkvedgiyhsnslrncltalqsslanenkieriyiig
ggeiyrqsmdladhwlitkimplpettipqmdtflqkqeleqrfydnsdklvdflpssiq
legrltsqewngelvkglpvqekgyqfyftlytkklehhhhhhhh

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3qlyB (B:)
mskvpvvgivaallpemgigfqgnlpwrlakemkyfrevttltndnskqnvvimgrktwe
sipqkfrplpkrinvvvsrsfdgelrkvedgiyhsnslrncltalqsslanenkieriyi
igggeiyrqsmdladhwlitkimplpettipqmdtflqkqeleqrfydnsdklvdflpss
iqlegrltsqewngelvkglpvqekgyqfyftlytkklehhhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3qlyB (B:)
kvpvvgivaallpemgigfqgnlpwrlakemkyfrevttltndnskqnvvimgrktwesi
pqkfrplpkrinvvvsrsfdgelrkvedgiyhsnslrncltalqsslanenkieriyiig
ggeiyrqsmdladhwlitkimplpettipqmdtflqkqeleqrfydnsdklvdflpssiq
legrltsqewngelvkglpvqekgyqfyftlytkklehhhhhhhh