PDB entry 4qi9

View 4qi9 on RCSB PDB site
Description: Crystal structure of dihydrofolate reductase from Yersinia pestis complexed with methotrexate
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: structural genomics, Center for Structural Genomics of Infectious Diseases, CSGID, alpha beta fold, NIAID, National Institute of Allergy and Infectious Diseases, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2014-05-30, released 2014-07-02
The last revision prior to the SCOPe 2.06 freeze date was dated 2014-07-02, with a file datestamp of 2014-06-27.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: 0.193
AEROSPACI score: 0.32 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: dihydrofolate reductase
    Species: Yersinia pestis [TaxId:214092]
    Gene: folA, y3688, YPO0486, YP_3693
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q7CG83 (0-159)
      • expression tag (160-166)
    Domains in SCOPe 2.06: d4qi9a1, d4qi9a2
  • Chain 'B':
    Compound: dihydrofolate reductase
    Species: Yersinia pestis [TaxId:214092]
    Gene: folA, y3688, YPO0486, YP_3693
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q7CG83 (0-159)
      • expression tag (160-166)
    Domains in SCOPe 2.06: d4qi9b1, d4qi9b2
  • Chain 'C':
    Compound: dihydrofolate reductase
    Species: Yersinia pestis [TaxId:214092]
    Gene: folA, y3688, YPO0486, YP_3693
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q7CG83 (0-159)
      • expression tag (160-166)
    Domains in SCOPe 2.06: d4qi9c1, d4qi9c2
  • Heterogens: MTX, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4qi9A (A:)
miisliaalaadrvigmenampwhlpadlawfkrntlnkpvimgrktfesigrplpgrln
ivissqpgtdervtwaasieealafagnaeevmvmgggrvykqfldranrmylthidaev
ggdthfpdyepdewesvfsefhdadeanshsycfeilerrgenlyfq

    Sequence, based on observed residues (ATOM records): (download) 
    >4qi9A (A:)
miisliaalaadrvilpadlawfkrntlnkpvimgrktfesigrplpgrlnivissqpgt
dervtwaasieealafagnaeevmvmgggrvykqfldranrmylthidaevggdthfpdy
epdewesvfsefhdadeanshsycfeilerrgenlyfq

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4qi9B (B:)
miisliaalaadrvigmenampwhlpadlawfkrntlnkpvimgrktfesigrplpgrln
ivissqpgtdervtwaasieealafagnaeevmvmgggrvykqfldranrmylthidaev
ggdthfpdyepdewesvfsefhdadeanshsycfeilerrgenlyfq

    Sequence, based on observed residues (ATOM records): (download) 
    >4qi9B (B:)
miisliaalaadrvihlpadlawfkrntlnkpvimgrktfesigrplpgrlnivissqpg
tdervtwaasieealafagnaeevmvmgggrvykqfldranrmylthidaevggdthfpd
yepdewesvfsefhdadeanshsycfeilerrgenlyfq

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4qi9C (C:)
miisliaalaadrvigmenampwhlpadlawfkrntlnkpvimgrktfesigrplpgrln
ivissqpgtdervtwaasieealafagnaeevmvmgggrvykqfldranrmylthidaev
ggdthfpdyepdewesvfsefhdadeanshsycfeilerrgenlyfq

    Sequence, based on observed residues (ATOM records): (download) 
    >4qi9C (C:)
miisliaalaadrvihlpadlawfkrntlnkpvimgrktfesigrplpgrlnivissqpg
tdervtwaasieealafagnaeevmvmgggrvykqfldranrmylthidathfpdyepde
wesvfsefhdadeanshsycfeilerrgenlyfq