PDB entry 1j3k

View 1j3k on RCSB PDB site
Description: Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with WR99210, NADPH, and dUMP
Class: oxidoreductase, transferase
Keywords: bifunctional
Deposited on 2003-02-03, released 2003-05-06
The last revision prior to the SCOP 1.75 freeze date was dated 2003-05-06, with a file datestamp of 2007-06-04.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.182
AEROSPACI score: 0.51 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Bifunctional dihydrofolate reductase-thymidylate synthase
    Species: Plasmodium falciparum
    Database cross-references and differences (RAF-indexed):
    • Uniprot P13922 (0-End)
      • engineered (50)
      • see remark 999, engineered (58)
      • see remark 999, engineered (107)
      • engineered (163)
    Domains in SCOP 1.75: d1j3ka_
  • Chain 'B':
    Compound: Bifunctional dihydrofolate reductase-thymidylate synthase
    Species: Plasmodium falciparum
    Database cross-references and differences (RAF-indexed):
    • Uniprot P13922 (0-End)
      • engineered (50)
      • see remark 999, engineered (58)
      • see remark 999, engineered (107)
      • engineered (163)
    Domains in SCOP 1.75: d1j3kb_
  • Chain 'C':
    Compound: Bifunctional dihydrofolate reductase-thymidylate synthase
    Species: Plasmodium falciparum
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d1j3kc_
  • Chain 'D':
    Compound: Bifunctional dihydrofolate reductase-thymidylate synthase
    Species: Plasmodium falciparum
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d1j3kd_
  • Heterogens: WRA, NDP, UMP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >1j3kA (A:)
    mmeqvcdvfdiyaicacckvesknegkknevfnnytfrglgnkgvlpwkcisldmkyfra
    vttyvneskyeklkykrckylnketvdnvndmpnskklqnvvvmgrtnwesipkkfkpls
    nrinvilsrtlkkedfdedvyiinkvedlivllgklnyykcfilggsvvyqeflekklik
    kiyftrinstyecdvffpeineneyqiisvsdvytsnnttldfiiykktnnkmlneqnci
    kgeeknndmplknddkdtchmkkltefyknvdkykinyen
    

    Sequence, based on observed residues (ATOM records): (download)
    >1j3kA (A:)
    mmeqvcdvfdiyaicacckvesknegkknevfnnytfrglgnkgvlpwkcisldmkyfra
    vttyvneskyeklkykrckylnketkklqnvvvmgrtnwesipkkfkplsnrinvilsrt
    lkkedfdedvyiinkvedlivllgklnyykcfilggsvvyqeflekklikkiyftrinst
    yecdvffpeineneyqiisvsdvytsnnttldfiiykktnn
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >1j3kB (B:)
    mmeqvcdvfdiyaicacckvesknegkknevfnnytfrglgnkgvlpwkcisldmkyfra
    vttyvneskyeklkykrckylnketvdnvndmpnskklqnvvvmgrtnwesipkkfkpls
    nrinvilsrtlkkedfdedvyiinkvedlivllgklnyykcfilggsvvyqeflekklik
    kiyftrinstyecdvffpeineneyqiisvsdvytsnnttldfiiykktnnkmlneqnci
    kgeeknndmplknddkdtchmkkltefyknvdkykinyen
    

    Sequence, based on observed residues (ATOM records): (download)
    >1j3kB (B:)
    mmeqvcdvfdiyaicacckvesknegkknevfnnytfrglgnkgvlpwkcisldmkyfra
    vttyvneskyeklkykrckylpnskklqnvvvmgrtnwesipkkfkplsnrinvilsrtl
    kkedfdedvyiinkvedlivllgklnyykcfilggsvvyqeflekklikkiyftrinsty
    ecdvffpeineneyqiisvsdvytsnnttldfiiykktnnk
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >1j3kC (C:)
    ddddeeeddfvyfnfnkekeeknknsihpndfqiynslkykyhpeyqylniiydimmngn
    kqsdrtgvgvlskfgyimkfdlsqyfpllttkklflrgiieellwfirgetngntllnkn
    vriweangtrefldnrklfhrevndlgpiygfqwrhfgaeytnmydnyenkgvdqlknii
    nlikndptsrrillcawnvkdldqmalppchilcqfyvfdgklscimyqrscdlglgvpf
    niasysifthmiaqvcnlqpaqfihvlgnahvynnhidslkiqlnripypfptlklnpdi
    kniedftisdftiqnyvhhekismdmaa
    

    Sequence, based on observed residues (ATOM records): (download)
    >1j3kC (C:)
    ddeeeddfvyfnfnkekeeknknsihpndfqiynslkykyhpeyqylniiydimmngnkq
    sdrtgvgvlskfgyimkfdlsqyfpllttkklflrgiieellwfirgetngntllnknvr
    iweangtrefldnrklfhrevndlgpiygfqwrhfgaeytnmydnyenkgvdqlkniinl
    ikndptsrrillcawnvkdldqmalppchilcqfyvfdgklscimyqrscdlglgvpfni
    asysifthmiaqvcnlqpaqfihvlgnahvynnhidslkiqlnripypfptlklnpdikn
    iedftisdftiqnyvhhekismdmaa
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >1j3kD (D:)
    ddddeeeddfvyfnfnkekeeknknsihpndfqiynslkykyhpeyqylniiydimmngn
    kqsdrtgvgvlskfgyimkfdlsqyfpllttkklflrgiieellwfirgetngntllnkn
    vriweangtrefldnrklfhrevndlgpiygfqwrhfgaeytnmydnyenkgvdqlknii
    nlikndptsrrillcawnvkdldqmalppchilcqfyvfdgklscimyqrscdlglgvpf
    niasysifthmiaqvcnlqpaqfihvlgnahvynnhidslkiqlnripypfptlklnpdi
    kniedftisdftiqnyvhhekismdmaa
    

    Sequence, based on observed residues (ATOM records): (download)
    >1j3kD (D:)
    ddeeeddfvyfnfnkekeeknknsihpndfqiynslkykyhpeyqylniiydimmngnkq
    sdrtgvgvlskfgyimkfdlsqyfpllttkklflrgiieellwfirgetngntllnknvr
    iweangtrefldnrklfhrevndlgpiygfqwrhfgaeytnmydnyenkgvdqlkniinl
    ikndptsrrillcawnvkdldqmalppchilcqfyvfdgklscimyqrscdlglgvpfni
    asysifthmiaqvcnlqpaqfihvlgnahvynnhidslkiqlnripypfptlklnpdikn
    iedftisdftiqnyvhhekismdmaa