PDB entry 1j3j

View 1j3j on RCSB PDB site
Description: Double mutant (C59R+S108N) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with pyrimethamine, 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: 2.3 Å
R-factor: 0.198
AEROSPACI score: 0.44 (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, engineered (58)
      • see remark 999, engineered (107)
    Domains in SCOP 1.75: d1j3ja_
  • Chain 'B':
    Compound: Bifunctional dihydrofolate reductase-thymidylate synthase
    Species: Plasmodium falciparum
    Database cross-references and differences (RAF-indexed):
    • Uniprot P13922 (0-End)
      • see remark 999, engineered (58)
      • see remark 999, engineered (107)
    Domains in SCOP 1.75: d1j3jb_
  • Chain 'C':
    Compound: Bifunctional dihydrofolate reductase-thymidylate synthase
    Species: Plasmodium falciparum
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d1j3jc_
  • Chain 'D':
    Compound: Bifunctional dihydrofolate reductase-thymidylate synthase
    Species: Plasmodium falciparum
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d1j3jd_
  • Heterogens: CP6, NDP, UMP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >1j3jA (A:)
mmeqvcdvfdiyaicacckvesknegkknevfnnytfrglgnkgvlpwkcnsldmkyfra
vttyvneskyeklkykrckylnketvdnvndmpnskklqnvvvmgrtnwesipkkfkpls
nrinvilsrtlkkedfdedvyiinkvedlivllgklnyykcfiiggsvvyqeflekklik
kiyftrinstyecdvffpeineneyqiisvsdvytsnnttldfiiykktnnkmlneqnci
kgeeknndmplknddkdtchmkkltefyknvdkykinyen

    Sequence, based on observed residues (ATOM records): (download) 
    >1j3jA (A:)
mmeqvcdvfdiyaicacckvesknegkknevfnnytfrglgnkgvlpwkcnsldmkyfra
vttyvneskyeklkykrckylnketkklqnvvvmgrtnwesipkkfkplsnrinvilsrt
lkkedfdedvyiinkvedlivllgklnyykcfiiggsvvyqeflekklikkiyftrinst
yecdvffpeineneyqiisvsdvytsnnttldfiiykktnn

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >1j3jB (B:)
mmeqvcdvfdiyaicacckvesknegkknevfnnytfrglgnkgvlpwkcnsldmkyfra
vttyvneskyeklkykrckylnketvdnvndmpnskklqnvvvmgrtnwesipkkfkpls
nrinvilsrtlkkedfdedvyiinkvedlivllgklnyykcfiiggsvvyqeflekklik
kiyftrinstyecdvffpeineneyqiisvsdvytsnnttldfiiykktnnkmlneqnci
kgeeknndmplknddkdtchmkkltefyknvdkykinyen

    Sequence, based on observed residues (ATOM records): (download) 
    >1j3jB (B:)
mmeqvcdvfdiyaicacckvesknegkknevfnnytfrglgnkgvlpwkcnsldmkyfra
vttyvneskyeklkykrckylklqnvvvmgrtnwesipkkfkplsnrinvilsrtlkked
fdedvyiinkvedlivllgklnyykcfiiggsvvyqeflekklikkiyftrinstyecdv
ffpeineneyqiisvsdvytsnnttldfiiykktnn

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >1j3jC (C:)
ddddeeeddfvyfnfnkekeeknknsihpndfqiynslkykyhpeyqylniiydimmngn
kqsdrtgvgvlskfgyimkfdlsqyfpllttkklflrgiieellwfirgetngntllnkn
vriweangtrefldnrklfhrevndlgpiygfqwrhfgaeytnmydnyenkgvdqlknii
nlikndptsrrillcawnvkdldqmalppchilcqfyvfdgklscimyqrscdlglgvpf
niasysifthmiaqvcnlqpaqfihvlgnahvynnhidslkiqlnripypfptlklnpdi
kniedftisdftiqnyvhhekismdmaa

    Sequence, based on observed residues (ATOM records): (download) 
    >1j3jC (C:)
ddeeeddfvyfnfnkekeeknknsihpndfqiynslkykyhpeyqylniiydimmngnkq
sdrtgvgvlskfgyimkfdlsqyfpllttkklflrgiieellwfirgetngntllnknvr
iweangtrefldnrklfhrevndlgpiygfqwrhfgaeytnmydnyenkgvdqlkniinl
ikndptsrrillcawnvkdldqmalppchilcqfyvfdgklscimyqrscdlglgvpfni
asysifthmiaqvcnlqpaqfihvlgnahvynnhidslkiqlnripypfptlklnpdikn
iedftisdftiqnyvhhekismdmaa

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >1j3jD (D:)
ddddeeeddfvyfnfnkekeeknknsihpndfqiynslkykyhpeyqylniiydimmngn
kqsdrtgvgvlskfgyimkfdlsqyfpllttkklflrgiieellwfirgetngntllnkn
vriweangtrefldnrklfhrevndlgpiygfqwrhfgaeytnmydnyenkgvdqlknii
nlikndptsrrillcawnvkdldqmalppchilcqfyvfdgklscimyqrscdlglgvpf
niasysifthmiaqvcnlqpaqfihvlgnahvynnhidslkiqlnripypfptlklnpdi
kniedftisdftiqnyvhhekismdmaa

    Sequence, based on observed residues (ATOM records): (download) 
    >1j3jD (D:)
ddeeeddfvyfnfnkekeeknknsihpndfqiynslkykyhpeyqylniiydimmngnkq
sdrtgvgvlskfgyimkfdlsqyfpllttkklflrgiieellwfirgetngntllnknvr
iweangtrefldnrklfhrevndlgpiygfqwrhfgaeytnmydnyenkgvdqlkniinl
ikndptsrrillcawnvkdldqmalppchilcqfyvfdgklscimyqrscdlglgvpfni
asysifthmiaqvcnlqpaqfihvlgnahvynnhidslkiqlnripypfptlklnpdikn
iedftisdftiqnyvhhekismdmaa