PDB entry 4hog

View 4hog on RCSB PDB site
Description: Candida glabrata dihydrofolate reductase complexed with NADPH and 5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine (UCP111H)
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: Antifungal Agents, Candida glabrata, Drug Design, Enzyme Inhibitors, Fungal Proteins, Structure-Activity Relationship, Tetrahydrofolate Dehydrogenase, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2012-10-22, released 2014-03-19
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-04-09, with a file datestamp of 2014-04-04.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.188
AEROSPACI score: 0.37 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: dihydrofolate reductase
    Species: Candida glabrata CBS 138 [TaxId:284593]
    Gene: CAGL0J03894g, DHFR
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q6FPH0 (Start-216)
      • expression tag (217-226)
    Domains in SCOPe 2.07: d4hoga1, d4hoga2
  • Chain 'B':
    Compound: dihydrofolate reductase
    Species: Candida glabrata CBS 138 [TaxId:284593]
    Gene: CAGL0J03894g, DHFR
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q6FPH0 (Start-216)
      • expression tag (217-226)
    Domains in SCOPe 2.07: d4hogb1, d4hogb2
  • Heterogens: NDP, 18H, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4hogA (A:)
mskvpvvgivaallpemgigfqgnlpwrlakemkyfrevttltndnskqnvvimgrktwe
sipqkfrplpkrinvvvsrsfdgelrkvedgiyhsnslrncltalqsslanenkieriyi
igggeiyrqsmdladhwlitkimplpettipqmdtflqkqeleqrfydnsdklvdflpss
iqlegrltsqewngelvkglpvqekgyqfyftlytkklehhhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4hogA (A:)
kvpvvgivaallpemgigfqgnlpwrlakemkyfrevttltndnskqnvvimgrktwesi
pqkfrplpkrinvvvsrsfdgelrkvedgiyhsnslrncltalqsslanenkieriyiig
ggeiyrqsmdladhwlitkimplpettipqmdtflqkqeleqrfydnsdklvdflpssiq
legrltsqewngelvkglpvqekgyqfyftlytkklehhhhhhhh

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4hogB (B:)
mskvpvvgivaallpemgigfqgnlpwrlakemkyfrevttltndnskqnvvimgrktwe
sipqkfrplpkrinvvvsrsfdgelrkvedgiyhsnslrncltalqsslanenkieriyi
igggeiyrqsmdladhwlitkimplpettipqmdtflqkqeleqrfydnsdklvdflpss
iqlegrltsqewngelvkglpvqekgyqfyftlytkklehhhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4hogB (B:)
kvpvvgivaallpemgigfqgnlpwrlakemkyfrevttltndnskqnvvimgrktwesi
pqkfrplpkrinvvvsrsfdgelrkvedgiyhsnslrncltalqsslanenkieriyiig
ggeiyrqsmdladhwlitkimplpettipqmdtflqkqeleqrfydnsdklvdflpssiq
legrltsqewngelvkglpvqekgyqfyftlytkklehhhhhhhh