PDB entry 6pfc

View 6pfc on RCSB PDB site
Description: Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxyphenyl)acetic acid
Class: transferase/transferase inhibitor
Keywords: Inhibitor, TS, TS-DHFR, TRANSFERASE, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2019-06-21, released 2019-10-16
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-12-18, with a file datestamp of 2019-12-13.
Experiment type: XRAY
Resolution: 2.69 Å
R-factor: N/A
AEROSPACI score: 0.19 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Bifunctional dihydrofolate reductase-thymidylate synthase
    Species: Cryptosporidium hominis [TaxId:237895]
    Gene: CHUDEA4_4460
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6pfca1, d6pfca2
  • Chain 'B':
    Compound: Bifunctional dihydrofolate reductase-thymidylate synthase
    Species: Cryptosporidium hominis [TaxId:237895]
    Gene: CHUDEA4_4460
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6pfcb1, d6pfcb2
  • Chain 'C':
    Compound: Bifunctional dihydrofolate reductase-thymidylate synthase
    Species: Cryptosporidium hominis [TaxId:237895]
    Gene: CHUDEA4_4460
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6pfcc1, d6pfcc2
  • Chain 'D':
    Compound: Bifunctional dihydrofolate reductase-thymidylate synthase
    Species: Cryptosporidium hominis [TaxId:237895]
    Gene: CHUDEA4_4460
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6pfcd1, d6pfcd2
  • Chain 'E':
    Compound: Bifunctional dihydrofolate reductase-thymidylate synthase
    Species: Cryptosporidium hominis [TaxId:237895]
    Gene: CHUDEA4_4460
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6pfce1, d6pfce2
  • Heterogens: OED, NDP, UFP, MTX, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6pfcA (A:)
mseknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwd
sigrrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyr
dalkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqek
ktlqncdpargqlksiddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqy
ldllsrvlengayrenrtgistysifgqmmrfdmresfpllttkkvairsifeeliwfik
gdtngnhliekkvyiwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddy
tgvgvdqlaklietlknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnl
yqrscdlglgspfniasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrt
prpfpqlkfkrkveniedfkwedieligyypyptikmdmav

    Sequence, based on observed residues (ATOM records): (download) 
    >6pfcA (A:)
eknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwdsi
grrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyrda
lkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqelks
iddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqyldllsrvlengayre
nrtgistysifgqmmrfdmresfpllttkkvairsifeeliwfikgdtngnhliekkvyi
wsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddytgvgvdqlaklietl
knnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnlyqrscdlglgspfni
asyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrtprpfpqlkfkrkven
iedfkwedieligyypyptikmdmav

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6pfcB (B:)
mseknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwd
sigrrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyr
dalkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqek
ktlqncdpargqlksiddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqy
ldllsrvlengayrenrtgistysifgqmmrfdmresfpllttkkvairsifeeliwfik
gdtngnhliekkvyiwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddy
tgvgvdqlaklietlknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnl
yqrscdlglgspfniasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrt
prpfpqlkfkrkveniedfkwedieligyypyptikmdmav

    Sequence, based on observed residues (ATOM records): (download) 
    >6pfcB (B:)
eknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwdsi
grrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyrda
lkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqelks
iddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqyldllsrvlengayre
nrtgistysifgqmmrfdmresfpllttkkvairsifeeliwfikgdtngnhliekkvyi
wsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddytgvgvdqlaklietl
knnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnlyqrscdlglgspfni
asyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrtprpfpqlkfkrkven
iedfkwedieligyypyptikmdmav

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >6pfcC (C:)
mseknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwd
sigrrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyr
dalkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqek
ktlqncdpargqlksiddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqy
ldllsrvlengayrenrtgistysifgqmmrfdmresfpllttkkvairsifeeliwfik
gdtngnhliekkvyiwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddy
tgvgvdqlaklietlknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnl
yqrscdlglgspfniasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrt
prpfpqlkfkrkveniedfkwedieligyypyptikmdmav

    Sequence, based on observed residues (ATOM records): (download) 
    >6pfcC (C:)
eknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwdsi
grrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyrda
lkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqelks
iddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqyldllsrvlengayre
nrtgistysifgqmmrfdmresfpllttkkvairsifeeliwfikgdtngnhliekkvyi
wsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddytgvgvdqlaklietl
knnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnlyqrscdlglgspfni
asyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrtprpfpqlkfkrkven
iedfkwedieligyypyptikmdmav

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >6pfcD (D:)
mseknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwd
sigrrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyr
dalkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqek
ktlqncdpargqlksiddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqy
ldllsrvlengayrenrtgistysifgqmmrfdmresfpllttkkvairsifeeliwfik
gdtngnhliekkvyiwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddy
tgvgvdqlaklietlknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnl
yqrscdlglgspfniasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrt
prpfpqlkfkrkveniedfkwedieligyypyptikmdmav

    Sequence, based on observed residues (ATOM records): (download) 
    >6pfcD (D:)
eknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwdsi
grrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyrda
lkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqelks
iddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqyldllsrvlengayre
nrtgistysifgqmmrfdmresfpllttkkvairsifeeliwfikgdtngnhliekkvyi
wsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddytgvgvdqlaklietl
knnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnlyqrscdlglgspfni
asyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrtprpfpqlkfkrkven
iedfkwedieligyypyptikmdmav

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >6pfcE (E:)
mseknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwd
sigrrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyr
dalkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqek
ktlqncdpargqlksiddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqy
ldllsrvlengayrenrtgistysifgqmmrfdmresfpllttkkvairsifeeliwfik
gdtngnhliekkvyiwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddy
tgvgvdqlaklietlknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnl
yqrscdlglgspfniasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrt
prpfpqlkfkrkveniedfkwedieligyypyptikmdmav

    Sequence, based on observed residues (ATOM records): (download) 
    >6pfcE (E:)
eknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwdsi
grrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyrda
lkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqelks
iddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqyldllsrvlengayre
nrtgistysifgqmmrfdmresfpllttkkvairsifeeliwfikgdtngnhliekkvyi
wsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddytgvgvdqlaklietl
knnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnlyqrscdlglgspfni
asyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrtprpfpqlkfkrkven
iedfkwedieligyypyptikmdmav