PDB entry 6dds

View 6dds on RCSB PDB site
Description: Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: DHFR, antifolate, oxidoreductase-oxidoreductase inhibitor complex
Deposited on 2018-05-10, released 2018-05-23
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-05-23, with a file datestamp of 2018-05-18.
Experiment type: XRAY
Resolution: 1.72 Å
R-factor: N/A
AEROSPACI score: 0.39 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: dihydrofolate reductase
    Species: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) [TaxId:83332]
    Gene: folA, dfrA, Rv2763c, MTV002.28c
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6ddsa_
  • Chain 'B':
    Compound: dihydrofolate reductase
    Species: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) [TaxId:83332]
    Gene: folA, dfrA, Rv2763c, MTV002.28c
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6ddsb_
  • Chain 'C':
    Compound: dihydrofolate reductase
    Species: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) [TaxId:83332]
    Gene: folA, dfrA, Rv2763c, MTV002.28c
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6ddsc_
  • Chain 'D':
    Compound: dihydrofolate reductase
    Species: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) [TaxId:83332]
    Gene: folA, dfrA, Rv2763c, MTV002.28c
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6ddsd_
  • Heterogens: NDP, U75, ACT, NA, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >6ddsA (A:)
    mvgliwaqatsgvigrggdipwrlpedqahfreitmghtivmgrrtwdslpakvrplpgr
    rnvvlsrqadfmasgaevvgsleealtspetwvigggqvyalalpyatrcevtevdiglp
    reagdalapvldetwrgetgewrfsrsglryrlysyhrs
    

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download)
    >6ddsB (B:)
    mvgliwaqatsgvigrggdipwrlpedqahfreitmghtivmgrrtwdslpakvrplpgr
    rnvvlsrqadfmasgaevvgsleealtspetwvigggqvyalalpyatrcevtevdiglp
    reagdalapvldetwrgetgewrfsrsglryrlysyhrs
    

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download)
    >6ddsC (C:)
    mvgliwaqatsgvigrggdipwrlpedqahfreitmghtivmgrrtwdslpakvrplpgr
    rnvvlsrqadfmasgaevvgsleealtspetwvigggqvyalalpyatrcevtevdiglp
    reagdalapvldetwrgetgewrfsrsglryrlysyhrs
    

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download)
    >6ddsD (D:)
    mvgliwaqatsgvigrggdipwrlpedqahfreitmghtivmgrrtwdslpakvrplpgr
    rnvvlsrqadfmasgaevvgsleealtspetwvigggqvyalalpyatrcevtevdiglp
    reagdalapvldetwrgetgewrfsrsglryrlysyhrs