PDB entry 1j3i

View 1j3i on RCSB PDB site
Description: Wild-type 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: 2.33 Å
R-factor: 0.185
AEROSPACI score: 0.45 (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)
      • see remark 999 (58)
      • see remark 999 (107)
    Domains in SCOP 1.75: d1j3ia_
  • Chain 'B':
    Compound: Bifunctional dihydrofolate reductase-thymidylate synthase
    Species: Plasmodium falciparum
    Database cross-references and differences (RAF-indexed):
    • Uniprot P13922
      • see remark 999 (58)
      • see remark 999 (107)
    Domains in SCOP 1.75: d1j3ib_
  • Chain 'C':
    Compound: Bifunctional dihydrofolate reductase-thymidylate synthase
    Species: Plasmodium falciparum
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d1j3ic_
  • Chain 'D':
    Compound: Bifunctional dihydrofolate reductase-thymidylate synthase
    Species: Plasmodium falciparum
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d1j3id_
  • Heterogens: WRA, NDP, UMP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >1j3iA (A:)
    mmeqvcdvfdiyaicacckvesknegkknevfnnytfrglgnkgvlpwkcnsldmkyfca
    vttyvneskyeklkykrckylnketvdnvndmpnskklqnvvvmgrtswesipkkfkpls
    nrinvilsrtlkkedfdedvyiinkvedlivllgklnyykcfiiggsvvyqeflekklik
    kiyftrinstyecdvffpeineneyqiisvsdvytsnnttldfiiykktnnkmlneqnci
    kgeeknndmplknddkdtchmkkltefyknvdkykinyen
    

    Sequence, based on observed residues (ATOM records): (download)
    >1j3iA (A:)
    mmeqvcdvfdiyaicacckvesknegkknevfnnytfrglgnkgvlpwkcnsldmkyfca
    vttyvneskyeklkykrckylnketkklqnvvvmgrtswesipkkfkplsnrinvilsrt
    lkkedfdedvyiinkvedlivllgklnyykcfiiggsvvyqeflekklikkiyftrinst
    yecdvffpeineneyqiisvsdvytsnnttldfiiykktnnkm
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >1j3iB (B:)
    mmeqvcdvfdiyaicacckvesknegkknevfnnytfrglgnkgvlpwkcnsldmkyfca
    vttyvneskyeklkykrckylnketvdnvndmpnskklqnvvvmgrtswesipkkfkpls
    nrinvilsrtlkkedfdedvyiinkvedlivllgklnyykcfiiggsvvyqeflekklik
    kiyftrinstyecdvffpeineneyqiisvsdvytsnnttldfiiykktnnkmlneqnci
    kgeeknndmplknddkdtchmkkltefyknvdkykinyen
    

    Sequence, based on observed residues (ATOM records): (download)
    >1j3iB (B:)
    meqvcdvfdiyaicacckvesknegkknevfnnytfrglgnkgvlpwkcnsldmkyfcav
    ttyvneskyeklkykrckylnketvdmpnskklqnvvvmgrtswesipkkfkplsnrinv
    ilsrtlkkedfdedvyiinkvedlivllgklnyykcfiiggsvvyqeflekklikkiyft
    rinstyecdvffpeineneyqiisvsdvytsnnttldfiiykktnn
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >1j3iC (C:)
    ddddeeeddfvyfnfnkekeeknknsihpndfqiynslkykyhpeyqylniiydimmngn
    kqsdrtgvgvlskfgyimkfdlsqyfpllttkklflrgiieellwfirgetngntllnkn
    vriweangtrefldnrklfhrevndlgpiygfqwrhfgaeytnmydnyenkgvdqlknii
    nlikndptsrrillcawnvkdldqmalppchilcqfyvfdgklscimyqrscdlglgvpf
    niasysifthmiaqvcnlqpaqfihvlgnahvynnhidslkiqlnripypfptlklnpdi
    kniedftisdftiqnyvhhekismdmaa
    

    Sequence, based on observed residues (ATOM records): (download)
    >1j3iC (C:)
    dddeeeddfvyfnfnkekeeknknsihpndfqiynslkykyhpeyqylniiydimmngnk
    qsdrtgvgvlskfgyimkfdlsqyfpllttkklflrgiieellwfirgetngntllnknv
    riweangtrefldnrklfhrevndlgpiygfqwrhfgaeytnmydnyenkgvdqlkniin
    likndptsrrillcawnvkdldqmalppchilcqfyvfdgklscimyqrscdlglgvpfn
    iasysifthmiaqvcnlqpaqfihvlgnahvynnhidslkiqlnripypfptlklnpdik
    niedftisdftiqnyvhhekismdmaa
    

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download)
    >1j3iD (D:)
    ddddeeeddfvyfnfnkekeeknknsihpndfqiynslkykyhpeyqylniiydimmngn
    kqsdrtgvgvlskfgyimkfdlsqyfpllttkklflrgiieellwfirgetngntllnkn
    vriweangtrefldnrklfhrevndlgpiygfqwrhfgaeytnmydnyenkgvdqlknii
    nlikndptsrrillcawnvkdldqmalppchilcqfyvfdgklscimyqrscdlglgvpf
    niasysifthmiaqvcnlqpaqfihvlgnahvynnhidslkiqlnripypfptlklnpdi
    kniedftisdftiqnyvhhekismdmaa