PDB entry 3dl5

View 3dl5 on RCSB PDB site
Description: Crystal Structure of the A287F Active Site Mutant of TS-DHFR from Cryptosporidium hominis
Class: oxidoreductase
Keywords: Enzyme active site mutant, Enzyme-ligand complex, , OXIDOREDUCTASE
Deposited on 2008-06-26, released 2008-08-19
The last revision prior to the SCOPe 2.07 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 2.74 Å
R-factor: 0.214
AEROSPACI score: 0.26 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Dihydrofolate reductase, DHFR
    Species: Cryptosporidium hominis [TaxId:237895]
    Gene: Chro.40506
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5CGA3 (Start-520)
      • engineered (286)
    Domains in SCOPe 2.07: d3dl5a1
  • Chain 'B':
    Compound: Dihydrofolate reductase, DHFR
    Species: Cryptosporidium hominis [TaxId:237895]
    Gene: Chro.40506
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5CGA3 (Start-520)
      • engineered (286)
    Domains in SCOPe 2.07: d3dl5b1, d3dl5b2
  • Chain 'C':
    Compound: Dihydrofolate reductase, DHFR
    Species: Cryptosporidium hominis [TaxId:237895]
    Gene: Chro.40506
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5CGA3 (Start-520)
      • engineered (286)
    Domains in SCOPe 2.07: d3dl5c1, d3dl5c2
  • Chain 'D':
    Compound: Dihydrofolate reductase, DHFR
    Species: Cryptosporidium hominis [TaxId:237895]
    Gene: Chro.40506
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5CGA3 (Start-520)
      • engineered (286)
    Domains in SCOPe 2.07: d3dl5d1, d3dl5d2
  • Chain 'E':
    Compound: Dihydrofolate reductase, DHFR
    Species: Cryptosporidium hominis [TaxId:237895]
    Gene: Chro.40506
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5CGA3 (Start-520)
      • engineered (286)
    Domains in SCOPe 2.07: d3dl5e1
  • Heterogens: UMP, CB3, DHF, NDP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3dl5A (A:)
    mseknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwd
    sigrrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyr
    dalkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqek
    ktlqncdpargqlksiddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqy
    ldllsrvlengayrenrtgistysifgqmmrfdmresfpllttkkvfirsifeeliwfik
    gdtngnhliekkvyiwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddy
    tgvgvdqlaklietlknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnl
    yqrscdlglgspfniasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrt
    prpfpqlkfkrkveniedfkwedieligyypyptikmdmav
    

    Sequence, based on observed residues (ATOM records): (download)
    >3dl5A (A:)
    eknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwdsi
    grrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyrda
    lkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqeklk
    siddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqyldllsrvlengayr
    enrtgistysifgqmmrfdmresfpllttkkvfirsifeeliwfikgdtngnhliekkvy
    iwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddytgvgvdqlakliet
    lknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnlyqrscdlglgspfn
    iasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrtprpfpqlkfkrkve
    niedfkwedieligyypyptikmdmav
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3dl5B (B:)
    mseknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwd
    sigrrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyr
    dalkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqek
    ktlqncdpargqlksiddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqy
    ldllsrvlengayrenrtgistysifgqmmrfdmresfpllttkkvfirsifeeliwfik
    gdtngnhliekkvyiwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddy
    tgvgvdqlaklietlknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnl
    yqrscdlglgspfniasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrt
    prpfpqlkfkrkveniedfkwedieligyypyptikmdmav
    

    Sequence, based on observed residues (ATOM records): (download)
    >3dl5B (B:)
    eknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwdsi
    grrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyrda
    lkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqekkl
    ksiddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqyldllsrvlengay
    renrtgistysifgqmmrfdmresfpllttkkvfirsifeeliwfikgdtngnhliekkv
    yiwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddytgvgvdqlaklie
    tlknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnlyqrscdlglgspf
    niasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrtprpfpqlkfkrkv
    eniedfkwedieligyypyptikmdmav
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3dl5C (C:)
    mseknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwd
    sigrrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyr
    dalkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqek
    ktlqncdpargqlksiddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqy
    ldllsrvlengayrenrtgistysifgqmmrfdmresfpllttkkvfirsifeeliwfik
    gdtngnhliekkvyiwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddy
    tgvgvdqlaklietlknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnl
    yqrscdlglgspfniasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrt
    prpfpqlkfkrkveniedfkwedieligyypyptikmdmav
    

    Sequence, based on observed residues (ATOM records): (download)
    >3dl5C (C:)
    eknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwdsi
    grrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyrda
    lkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqekkl
    ksiddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqyldllsrvlengay
    renrtgistysifgqmmrfdmresfpllttkkvfirsifeeliwfikgdtngnhliekkv
    yiwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddytgvgvdqlaklie
    tlknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnlyqrscdlglgspf
    niasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrtprpfpqlkfkrkv
    eniedfkwedieligyypyptikmdmav
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3dl5D (D:)
    mseknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwd
    sigrrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyr
    dalkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqek
    ktlqncdpargqlksiddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqy
    ldllsrvlengayrenrtgistysifgqmmrfdmresfpllttkkvfirsifeeliwfik
    gdtngnhliekkvyiwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddy
    tgvgvdqlaklietlknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnl
    yqrscdlglgspfniasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrt
    prpfpqlkfkrkveniedfkwedieligyypyptikmdmav
    

    Sequence, based on observed residues (ATOM records): (download)
    >3dl5D (D:)
    eknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwdsi
    grrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyrda
    lkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqeklk
    siddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqyldllsrvlengayr
    enrtgistysifgqmmrfdmresfpllttkkvfirsifeeliwfikgdtngnhliekkvy
    iwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddytgvgvdqlakliet
    lknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnlyqrscdlglgspfn
    iasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrtprpfpqlkfkrkve
    niedfkwedieligyypyptikmdmav
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >3dl5E (E:)
    mseknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwd
    sigrrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyr
    dalkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqek
    ktlqncdpargqlksiddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqy
    ldllsrvlengayrenrtgistysifgqmmrfdmresfpllttkkvfirsifeeliwfik
    gdtngnhliekkvyiwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddy
    tgvgvdqlaklietlknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnl
    yqrscdlglgspfniasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrt
    prpfpqlkfkrkveniedfkwedieligyypyptikmdmav
    

    Sequence, based on observed residues (ATOM records): (download)
    >3dl5E (E:)
    eknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwdsi
    grrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyrda
    lkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqekkl
    ksiddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqyldllsrvlengay
    renrtgistysifgqmmrfdmresfpllttkkvfirsifeeliwfikgdtngnhliekkv
    yiwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddytgvgvdqlaklie
    tlknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnlyqrscdlglgspf
    niasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrtprpfpqlkfkrkv
    eniedfkwedieligyypyptikmdmav