PDB entry 4ky8

View 4ky8 on RCSB PDB site
Description: Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, methotrexate, FdUMP and 4-((2-amino-6-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)thio)-2-chlorophenyl)-L-glutamic acid
Class: transferase,oxidoreductase/inhibitor
Keywords: bifunctional enzyme, transferase, oxidoreductase, OXIDOREDUCTASE-INHIBITOR complex
Deposited on 2013-05-28, released 2013-08-21
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-11-15, with a file datestamp of 2017-11-10.
Experiment type: XRAY
Resolution: 3.08 Å
R-factor: N/A
AEROSPACI score: 0.14 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Bifunctional thymidylate synthase-dihydrofolate reductase
    Species: Cryptosporidium hominis [TaxId:237895]
    Gene: Chro.40506, TS-DHFR
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4ky8a1, d4ky8a2
  • Chain 'B':
    Compound: Bifunctional thymidylate synthase-dihydrofolate reductase
    Species: Cryptosporidium hominis [TaxId:237895]
    Gene: Chro.40506, TS-DHFR
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4ky8b1, d4ky8b2
  • Chain 'C':
    Compound: Bifunctional thymidylate synthase-dihydrofolate reductase
    Species: Cryptosporidium hominis [TaxId:237895]
    Gene: Chro.40506, TS-DHFR
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4ky8c1, d4ky8c2
  • Chain 'D':
    Compound: Bifunctional thymidylate synthase-dihydrofolate reductase
    Species: Cryptosporidium hominis [TaxId:237895]
    Gene: Chro.40506, TS-DHFR
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4ky8d1, d4ky8d2
  • Chain 'E':
    Compound: Bifunctional thymidylate synthase-dihydrofolate reductase
    Species: Cryptosporidium hominis [TaxId:237895]
    Gene: Chro.40506, TS-DHFR
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4ky8e1, d4ky8e2
  • Heterogens: NDP, UFP, MTX, 1UF

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4ky8A (A:)
mseknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwd
sigrrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyr
dalkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqek
ktlqncdpargqlksiddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqy
ldllsrvlengayrenrtgistysifgqmmrfdmresfpllttkkvairsifeeliwfik
gdtngnhliekkvyiwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddy
tgvgvdqlaklietlknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnl
yqrscdlglgspfniasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrt
prpfpqlkfkrkveniedfkwedieligyypyptikmdmav

    Sequence, based on observed residues (ATOM records): (download) 
    >4ky8A (A:)
eknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwdsi
grrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyrda
lkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqlksi
ddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqyldllsrvlengayren
rtgistysifgqmmrfdmresfpllttkkvairsifeeliwfikgdtngnhliekkvyiw
sgngskeyleriglghreendlgpiygfqwrhyngeyktmhddytgvgvdqlaklietlk
nnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnlyqrscdlglgspfnia
syailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrtprpfpqlkfkrkveni
edfkwedieligyypyptikmdmav

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4ky8B (B:)
mseknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwd
sigrrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyr
dalkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqek
ktlqncdpargqlksiddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqy
ldllsrvlengayrenrtgistysifgqmmrfdmresfpllttkkvairsifeeliwfik
gdtngnhliekkvyiwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddy
tgvgvdqlaklietlknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnl
yqrscdlglgspfniasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrt
prpfpqlkfkrkveniedfkwedieligyypyptikmdmav

    Sequence, based on observed residues (ATOM records): (download) 
    >4ky8B (B:)
eknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwdsi
grrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyrda
lkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqlksi
ddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqyldllsrvlengayren
rtgistysifgqmmrfdmresfpllttkkvairsifeeliwfikgdtngnhliekkvyiw
sgngskeyleriglghreendlgpiygfqwrhyngeyktmhddytgvgvdqlaklietlk
nnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnlyqrscdlglgspfnia
syailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrtprpfpqlkfkrkveni
edfkwedieligyypyptikmdmav

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4ky8C (C:)
mseknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwd
sigrrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyr
dalkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqek
ktlqncdpargqlksiddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqy
ldllsrvlengayrenrtgistysifgqmmrfdmresfpllttkkvairsifeeliwfik
gdtngnhliekkvyiwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddy
tgvgvdqlaklietlknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnl
yqrscdlglgspfniasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrt
prpfpqlkfkrkveniedfkwedieligyypyptikmdmav

    Sequence, based on observed residues (ATOM records): (download) 
    >4ky8C (C:)
eknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwdsi
grrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyrda
lkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqlksi
ddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqyldllsrvlengayren
rtgistysifgqmmrfdmresfpllttkkvairsifeeliwfikgdtngnhliekkvyiw
sgngskeyleriglghreendlgpiygfqwrhyngeyktmhddytgvgvdqlaklietlk
nnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnlyqrscdlglgspfnia
syailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrtprpfpqlkfkrkveni
edfkwedieligyypyptikmdmav

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4ky8D (D:)
mseknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwd
sigrrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyr
dalkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqek
ktlqncdpargqlksiddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqy
ldllsrvlengayrenrtgistysifgqmmrfdmresfpllttkkvairsifeeliwfik
gdtngnhliekkvyiwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddy
tgvgvdqlaklietlknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnl
yqrscdlglgspfniasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrt
prpfpqlkfkrkveniedfkwedieligyypyptikmdmav

    Sequence, based on observed residues (ATOM records): (download) 
    >4ky8D (D:)
eknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwdsi
grrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyrda
lkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqlksi
ddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqyldllsrvlengayren
rtgistysifgqmmrfdmresfpllttkkvairsifeeliwfikgdtngnhliekkvyiw
sgngskeyleriglghreendlgpiygfqwrhyngeyktmhddytgvgvdqlaklietlk
nnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnlyqrscdlglgspfnia
syailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrtprpfpqlkfkrkveni
edfkwedieligyypyptikmdmav

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >4ky8E (E:)
mseknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwd
sigrrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyr
dalkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqek
ktlqncdpargqlksiddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqy
ldllsrvlengayrenrtgistysifgqmmrfdmresfpllttkkvairsifeeliwfik
gdtngnhliekkvyiwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddy
tgvgvdqlaklietlknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnl
yqrscdlglgspfniasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrt
prpfpqlkfkrkveniedfkwedieligyypyptikmdmav

    Sequence, based on observed residues (ATOM records): (download) 
    >4ky8E (E:)
eknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwdsi
grrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyrda
lkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqlksi
ddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqyldllsrvlengayren
rtgistysifgqmmrfdmresfpllttkkvairsifeeliwfikgdtngnhliekkvyiw
sgngskeyleriglghreendlgpiygfqwrhyngeyktmhddytgvgvdqlaklietlk
nnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnlyqrscdlglgspfnia
syailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrtprpfpqlkfkrkveni
edfkwedieligyypyptikmdmav