PDB entry 3nrr

View 3nrr on RCSB PDB site
Description: Co-crystal structure of dihydrofolate reductase-thymidylate synthase from Babesia bovis with dUMP, Raltitrexed and NADP
Class: transferase
Keywords: Structural Genomics, Seattle Structural Genomics Center for Infectious Disease, SSGCID, NIAID, dihydrofolate reductase, thymidylate synthase, DHFR, TS, ThyA, oxidoreductase, methyltransferase, Babesiosis, dUMP, NADP, Raltitrexed, Tomudex, TRANSFERASE
Deposited on 2010-06-30, released 2010-07-14
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-11-08, with a file datestamp of 2017-11-03.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: N/A
AEROSPACI score: 0.37 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: dihydrofolate reductase-thymidylate synthase
    Species: Babesia bovis [TaxId:5865]
    Gene: BBOV_II000780
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3nrra1, d3nrra2
  • Chain 'B':
    Compound: dihydrofolate reductase-thymidylate synthase
    Species: Babesia bovis [TaxId:5865]
    Gene: BBOV_II000780
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3nrrb1, d3nrrb2
  • Heterogens: CL, NAP, D16, UMP, EDO, GOL, PO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3nrrA (A:)
    gpgsmsnsyegcgdltifvavalnkvighknqipwphithdfrflrngttyippevlskn
    pdiqnvvifgrktyesipkaslplknrinvilsrtvkevpgclvyedlstairdlranvp
    hnkifilggsflykevldnglcdkiyltrlnkeypgdtyfpdipdtfeitaisptfstdf
    vsydfviyerkdcktvfpdppfdqllmtgtdisvpkpkyvacpgvrirnheefqyldila
    dvlshgvlkpnrtgtdayskfgyqmrfdlsrsfpllttkkvalrsiieellwfikgstng
    ndllaknvriwelngrrdfldkngftdreehdlgpiygfqwrhfgaeyldmhadytgkgi
    dqlaeiinriktnpndrrlivcswnvsdlkkmalppchcffqfyvsdnklscmmhqrscd
    lglgvpfniasysiltamvaqvcglglgefvhnladahiyvdhvdavttqiariphpfpr
    lrlnpdirniedftiddivvedyvshppipmamsa
    

    Sequence, based on observed residues (ATOM records): (download)
    >3nrrA (A:)
    nsyegcgdltifvavalnkvighknqipwphithdfrflrngttyippevlsknpdiqnv
    vifgrktyesipkaslplknrinvilsrtvkevpgclvyedlstairdlranvphnkifi
    lggsflykevldnglcdkiyltrlnkeypgdtyfpdipdtfeitaisptfstdfvsydfv
    iyerkddppfdqllmtgtdisvpkpkyvacpgvrirnheefqyldiladvlshgvlkpnr
    tgtdayskfgyqmrfdlsrsfpllttkkvalrsiieellwfikgstngndllaknvriwe
    lngrrdfldkngftdreehdlgpiygfqwrhfgaeyldmhadytgkgidqlaeiinrikt
    npndrrlivcswnvsdlkkmalppchcffqfyvsdnklscmmhqrscdlglgvpfniasy
    siltamvaqvcglglgefvhnladahiyvdhvdavttqiariphpfprlrlnpdirnied
    ftiddivvedyvshppipmamsa
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3nrrB (B:)
    gpgsmsnsyegcgdltifvavalnkvighknqipwphithdfrflrngttyippevlskn
    pdiqnvvifgrktyesipkaslplknrinvilsrtvkevpgclvyedlstairdlranvp
    hnkifilggsflykevldnglcdkiyltrlnkeypgdtyfpdipdtfeitaisptfstdf
    vsydfviyerkdcktvfpdppfdqllmtgtdisvpkpkyvacpgvrirnheefqyldila
    dvlshgvlkpnrtgtdayskfgyqmrfdlsrsfpllttkkvalrsiieellwfikgstng
    ndllaknvriwelngrrdfldkngftdreehdlgpiygfqwrhfgaeyldmhadytgkgi
    dqlaeiinriktnpndrrlivcswnvsdlkkmalppchcffqfyvsdnklscmmhqrscd
    lglgvpfniasysiltamvaqvcglglgefvhnladahiyvdhvdavttqiariphpfpr
    lrlnpdirniedftiddivvedyvshppipmamsa
    

    Sequence, based on observed residues (ATOM records): (download)
    >3nrrB (B:)
    syegcgdltifvavalnkvighknqipwphithdfrflrngttyippevlsknpdiqnvv
    ifgrktyesipkaslplknrinvilsrtvkevpgclvyedlstairdlranvphnkifil
    ggsflykevldnglcdkiyltrlnkeypgdtyfpdipdtfeitaisptfstdfvsydfvi
    yerkdppfdqllmtgtdisvpkpkyvacpgvrirnheefqyldiladvlshgvlkpnrtg
    tdayskfgyqmrfdlsrsfpllttkkvalrsiieellwfikgstngndllaknvriweln
    grrdfldkngftdreehdlgpiygfqwrhfgaeyldmhadytgkgidqlaeiinriktnp
    ndrrlivcswnvsdlkkmalppchcffqfyvsdnklscmmhqrscdlglgvpfniasysi
    ltamvaqvcglglgefvhnladahiyvdhvdavttqiariphpfprlrlnpdirniedft
    iddivvedyvshppipmamsa