PDB entry 5i7f

View 5i7f on RCSB PDB site
Description: Crystal structure of B. pseudomallei FabI in complex with NAD and PT405
Class: oxidoreductase
Keywords: enoyl-ACP reductase, diphenyl ethers, Burkholderia pseudomallei, slow binding inhibitors, Oxidoreductase
Deposited on 2016-02-17, released 2017-02-22
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-09-06, with a file datestamp of 2017-09-01.
Experiment type: XRAY
Resolution: 2.7 Å
R-factor: N/A
AEROSPACI score: 0.18 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Burkholderia pseudomallei [TaxId:28450]
    Gene: fabI, fabI_2, ACT79_25590, AM256_11615, AM257_11635, AMS56_08605, DP46_2957, DP49_6839, ERS012314_03793, ERS012372_03823, SY87_14645, TR70_1075, VU09_13745
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5i7fa_
  • Chain 'B':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Burkholderia pseudomallei [TaxId:28450]
    Gene: fabI, fabI_2, ACT79_25590, AM256_11615, AM257_11635, AMS56_08605, DP46_2957, DP49_6839, ERS012314_03793, ERS012372_03823, SY87_14645, TR70_1075, VU09_13745
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5i7fb_
  • Chain 'C':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Burkholderia pseudomallei [TaxId:28450]
    Gene: fabI, fabI_2, ACT79_25590, AM256_11615, AM257_11635, AMS56_08605, DP46_2957, DP49_6839, ERS012314_03793, ERS012372_03823, SY87_14645, TR70_1075, VU09_13745
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5i7fc_
  • Chain 'D':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Burkholderia pseudomallei [TaxId:28450]
    Gene: fabI, fabI_2, ACT79_25590, AM256_11615, AM257_11635, AMS56_08605, DP46_2957, DP49_6839, ERS012314_03793, ERS012372_03823, SY87_14645, TR70_1075, VU09_13745
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5i7fd_
  • Chain 'E':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Burkholderia pseudomallei [TaxId:28450]
    Gene: fabI, fabI_2, ACT79_25590, AM256_11615, AM257_11635, AMS56_08605, DP46_2957, DP49_6839, ERS012314_03793, ERS012372_03823, SY87_14645, TR70_1075, VU09_13745
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5i7fe_
  • Chain 'F':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Burkholderia pseudomallei [TaxId:28450]
    Gene: fabI, fabI_2, ACT79_25590, AM256_11615, AM257_11635, AMS56_08605, DP46_2957, DP49_6839, ERS012314_03793, ERS012372_03823, SY87_14645, TR70_1075, VU09_13745
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5i7ff_
  • Chain 'G':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Burkholderia pseudomallei [TaxId:28450]
    Gene: fabI, fabI_2, ACT79_25590, AM256_11615, AM257_11635, AMS56_08605, DP46_2957, DP49_6839, ERS012314_03793, ERS012372_03823, SY87_14645, TR70_1075, VU09_13745
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5i7fg_
  • Chain 'H':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Burkholderia pseudomallei [TaxId:28450]
    Gene: fabI, fabI_2, ACT79_25590, AM256_11615, AM257_11635, AMS56_08605, DP46_2957, DP49_6839, ERS012314_03793, ERS012372_03823, SY87_14645, TR70_1075, VU09_13745
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5i7fh_
  • Chain 'I':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Burkholderia pseudomallei [TaxId:28450]
    Gene: fabI, fabI_2, ACT79_25590, AM256_11615, AM257_11635, AMS56_08605, DP46_2957, DP49_6839, ERS012314_03793, ERS012372_03823, SY87_14645, TR70_1075, VU09_13745
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5i7fi_
  • Chain 'J':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Burkholderia pseudomallei [TaxId:28450]
    Gene: fabI, fabI_2, ACT79_25590, AM256_11615, AM257_11635, AMS56_08605, DP46_2957, DP49_6839, ERS012314_03793, ERS012372_03823, SY87_14645, TR70_1075, VU09_13745
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5i7fj_
  • Chain 'K':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Burkholderia pseudomallei [TaxId:28450]
    Gene: fabI, fabI_2, ACT79_25590, AM256_11615, AM257_11635, AMS56_08605, DP46_2957, DP49_6839, ERS012314_03793, ERS012372_03823, SY87_14645, TR70_1075, VU09_13745
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5i7fk_
  • Chain 'L':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Burkholderia pseudomallei [TaxId:28450]
    Gene: fabI, fabI_2, ACT79_25590, AM256_11615, AM257_11635, AMS56_08605, DP46_2957, DP49_6839, ERS012314_03793, ERS012372_03823, SY87_14645, TR70_1075, VU09_13745
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5i7fl_
  • Heterogens: NAD, 68O, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5i7fA (A:)
    mgfldgkrilltgllsnrsiaygiakackregaelaftyvgdrfkdritefaaefgselv
    fpcdvaddaqidalfaslkthwdsldglvhsigfapreaiagdfldgltrenfriahdis
    aysfpalakaalpmlsddaslltlsylgaeraipnyntmglakaaleasvrylavslgak
    gvrvnaisagpiktlaasgiksfgkildfvesnsplkrnvtieqvgnagafllsdlasgv
    taevmhvdsgfnavvggmagleeklaaalehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i7fA (A:)
    gfldgkrilltgllsnrsiaygiakackregaelaftyvgdrfkdritefaaefgselvf
    pcdvaddaqidalfaslkthwdsldglvhsigfapreaiagdfldgltrenfriahdisa
    ysfpalakaalpmlsddaslltlsylgaeraipnyntmglakaaleasvrylavslgakg
    vrvnaisagpiktlaasgiksfgkildfvesnsplkrnvtieqvgnagafllsdlasgvt
    aevmhvdsgfnavvggm
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5i7fB (B:)
    mgfldgkrilltgllsnrsiaygiakackregaelaftyvgdrfkdritefaaefgselv
    fpcdvaddaqidalfaslkthwdsldglvhsigfapreaiagdfldgltrenfriahdis
    aysfpalakaalpmlsddaslltlsylgaeraipnyntmglakaaleasvrylavslgak
    gvrvnaisagpiktlaasgiksfgkildfvesnsplkrnvtieqvgnagafllsdlasgv
    taevmhvdsgfnavvggmagleeklaaalehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i7fB (B:)
    gfldgkrilltgllsnrsiaygiakackregaelaftyvgdrfkdritefaaefgselvf
    pcdvaddaqidalfaslkthwdsldglvhsigfapreaiagdfldgltrenfriahdisa
    ysfpalakaalpmlsddaslltlsylgaeraipnyntmglakaaleasvrylavslgakg
    vrvnaisagpiktlaasgiksfgkildfvesnsplkrnvtieqvgnagafllsdlasgvt
    aevmhvdsgfnavvggm
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5i7fC (C:)
    mgfldgkrilltgllsnrsiaygiakackregaelaftyvgdrfkdritefaaefgselv
    fpcdvaddaqidalfaslkthwdsldglvhsigfapreaiagdfldgltrenfriahdis
    aysfpalakaalpmlsddaslltlsylgaeraipnyntmglakaaleasvrylavslgak
    gvrvnaisagpiktlaasgiksfgkildfvesnsplkrnvtieqvgnagafllsdlasgv
    taevmhvdsgfnavvggmagleeklaaalehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i7fC (C:)
    gfldgkrilltgllsnrsiaygiakackregaelaftyvgdrfkdritefaaefgselvf
    pcdvaddaqidalfaslkthwdsldglvhsigfapreaiagdfldgltrenfriahdisa
    ysfpalakaalpmlsddaslltlsylgaeraipnyntmglakaaleasvrylavslgakg
    vrvnaisagpiktlaasgiksfgkildfvesnsplkrnvtieqvgnagafllsdlasgvt
    aevmhvdsgfnavvggm
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5i7fD (D:)
    mgfldgkrilltgllsnrsiaygiakackregaelaftyvgdrfkdritefaaefgselv
    fpcdvaddaqidalfaslkthwdsldglvhsigfapreaiagdfldgltrenfriahdis
    aysfpalakaalpmlsddaslltlsylgaeraipnyntmglakaaleasvrylavslgak
    gvrvnaisagpiktlaasgiksfgkildfvesnsplkrnvtieqvgnagafllsdlasgv
    taevmhvdsgfnavvggmagleeklaaalehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i7fD (D:)
    gfldgkrilltgllsnrsiaygiakackregaelaftyvgdrfkdritefaaefgselvf
    pcdvaddaqidalfaslkthwdsldglvhsigfapreaiagdfldgltrenfriahdisa
    ysfpalakaalpmlsddaslltlsylgaeraipnyntmglakaaleasvrylavslgakg
    vrvnaisagpiktlaasgiksfgkildfvesnsplkrnvtieqvgnagafllsdlasgvt
    aevmhvdsgfnavvggm
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >5i7fE (E:)
    mgfldgkrilltgllsnrsiaygiakackregaelaftyvgdrfkdritefaaefgselv
    fpcdvaddaqidalfaslkthwdsldglvhsigfapreaiagdfldgltrenfriahdis
    aysfpalakaalpmlsddaslltlsylgaeraipnyntmglakaaleasvrylavslgak
    gvrvnaisagpiktlaasgiksfgkildfvesnsplkrnvtieqvgnagafllsdlasgv
    taevmhvdsgfnavvggmagleeklaaalehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i7fE (E:)
    gfldgkrilltgllsnrsiaygiakackregaelaftyvgdrfkdritefaaefgselvf
    pcdvaddaqidalfaslkthwdsldglvhsigfapreaiagdfldgltrenfriahdisa
    ysfpalakaalpmlsddaslltlsylgaeraipnyntmglakaaleasvrylavslgakg
    vrvnaisagpiktlaasgiksfgkildfvesnsplkrnvtieqvgnagafllsdlasgvt
    aevmhvdsgfnavvggm
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >5i7fF (F:)
    mgfldgkrilltgllsnrsiaygiakackregaelaftyvgdrfkdritefaaefgselv
    fpcdvaddaqidalfaslkthwdsldglvhsigfapreaiagdfldgltrenfriahdis
    aysfpalakaalpmlsddaslltlsylgaeraipnyntmglakaaleasvrylavslgak
    gvrvnaisagpiktlaasgiksfgkildfvesnsplkrnvtieqvgnagafllsdlasgv
    taevmhvdsgfnavvggmagleeklaaalehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i7fF (F:)
    gfldgkrilltgllsnrsiaygiakackregaelaftyvgdrfkdritefaaefgselvf
    pcdvaddaqidalfaslkthwdsldglvhsigfapreaiagdfldgltrenfriahdisa
    ysfpalakaalpmlsddaslltlsylgaeraipnyntmglakaaleasvrylavslgakg
    vrvnaisagpiktlaasgiksfgkildfvesnsplkrnvtieqvgnagafllsdlasgvt
    aevmhvdsgfnavvggm
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >5i7fG (G:)
    mgfldgkrilltgllsnrsiaygiakackregaelaftyvgdrfkdritefaaefgselv
    fpcdvaddaqidalfaslkthwdsldglvhsigfapreaiagdfldgltrenfriahdis
    aysfpalakaalpmlsddaslltlsylgaeraipnyntmglakaaleasvrylavslgak
    gvrvnaisagpiktlaasgiksfgkildfvesnsplkrnvtieqvgnagafllsdlasgv
    taevmhvdsgfnavvggmagleeklaaalehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i7fG (G:)
    gfldgkrilltgllsnrsiaygiakackregaelaftyvgdrfkdritefaaefgselvf
    pcdvaddaqidalfaslkthwdsldglvhsigfapreaiagdfldgltrenfriahdisa
    ysfpalakaalpmlsddaslltlsylgaeraipnyntmglakaaleasvrylavslgakg
    vrvnaisagpiktlaasgiksfgkildfvesnsplkrnvtieqvgnagafllsdlasgvt
    aevmhvdsgfnavvggm
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >5i7fH (H:)
    mgfldgkrilltgllsnrsiaygiakackregaelaftyvgdrfkdritefaaefgselv
    fpcdvaddaqidalfaslkthwdsldglvhsigfapreaiagdfldgltrenfriahdis
    aysfpalakaalpmlsddaslltlsylgaeraipnyntmglakaaleasvrylavslgak
    gvrvnaisagpiktlaasgiksfgkildfvesnsplkrnvtieqvgnagafllsdlasgv
    taevmhvdsgfnavvggmagleeklaaalehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i7fH (H:)
    gfldgkrilltgllsnrsiaygiakackregaelaftyvgdrfkdritefaaefgselvf
    pcdvaddaqidalfaslkthwdsldglvhsigfapreaiagdfldgltrenfriahdisa
    ysfpalakaalpmlsddaslltlsylgaeraipnyntmglakaaleasvrylavslgakg
    vrvnaisagpiktlaasgiksfgkildfvesnsplkrnvtieqvgnagafllsdlasgvt
    aevmhvdsgfnavvggm
    

  • Chain 'I':
    Sequence, based on SEQRES records: (download)
    >5i7fI (I:)
    mgfldgkrilltgllsnrsiaygiakackregaelaftyvgdrfkdritefaaefgselv
    fpcdvaddaqidalfaslkthwdsldglvhsigfapreaiagdfldgltrenfriahdis
    aysfpalakaalpmlsddaslltlsylgaeraipnyntmglakaaleasvrylavslgak
    gvrvnaisagpiktlaasgiksfgkildfvesnsplkrnvtieqvgnagafllsdlasgv
    taevmhvdsgfnavvggmagleeklaaalehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i7fI (I:)
    gfldgkrilltgllsnrsiaygiakackregaelaftyvgdrfkdritefaaefgselvf
    pcdvaddaqidalfaslkthwdsldglvhsigfapreaiagdfldgltrenfriahdisa
    ysfpalakaalpmlsddaslltlsylgaeraipnyntmglakaaleasvrylavslgakg
    vrvnaisagpiktlaasgiksfgkildfvesnsplkrnvtieqvgnagafllsdlasgvt
    aevmhvdsgfnavvggm
    

  • Chain 'J':
    Sequence, based on SEQRES records: (download)
    >5i7fJ (J:)
    mgfldgkrilltgllsnrsiaygiakackregaelaftyvgdrfkdritefaaefgselv
    fpcdvaddaqidalfaslkthwdsldglvhsigfapreaiagdfldgltrenfriahdis
    aysfpalakaalpmlsddaslltlsylgaeraipnyntmglakaaleasvrylavslgak
    gvrvnaisagpiktlaasgiksfgkildfvesnsplkrnvtieqvgnagafllsdlasgv
    taevmhvdsgfnavvggmagleeklaaalehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i7fJ (J:)
    gfldgkrilltgllsnrsiaygiakackregaelaftyvgdrfkdritefaaefgselvf
    pcdvaddaqidalfaslkthwdsldglvhsigfapreaiagdfldgltrenfriahdisa
    ysfpalakaalpmlsddaslltlsylgaeraipnyntmglakaaleasvrylavslgakg
    vrvnaisagpiktlaasgiksfgkildfvesnsplkrnvtieqvgnagafllsdlasgvt
    aevmhvdsgfnavvggm
    

  • Chain 'K':
    Sequence, based on SEQRES records: (download)
    >5i7fK (K:)
    mgfldgkrilltgllsnrsiaygiakackregaelaftyvgdrfkdritefaaefgselv
    fpcdvaddaqidalfaslkthwdsldglvhsigfapreaiagdfldgltrenfriahdis
    aysfpalakaalpmlsddaslltlsylgaeraipnyntmglakaaleasvrylavslgak
    gvrvnaisagpiktlaasgiksfgkildfvesnsplkrnvtieqvgnagafllsdlasgv
    taevmhvdsgfnavvggmagleeklaaalehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i7fK (K:)
    gfldgkrilltgllsnrsiaygiakackregaelaftyvgdrfkdritefaaefgselvf
    pcdvaddaqidalfaslkthwdsldglvhsigfapreaiagdfldgltrenfriahdisa
    ysfpalakaalpmlsddaslltlsylgaeraipnyntmglakaaleasvrylavslgakg
    vrvnaisagpiktlaasgiksfgkildfvesnsplkrnvtieqvgnagafllsdlasgvt
    aevmhvdsgfnavvggm
    

  • Chain 'L':
    Sequence, based on SEQRES records: (download)
    >5i7fL (L:)
    mgfldgkrilltgllsnrsiaygiakackregaelaftyvgdrfkdritefaaefgselv
    fpcdvaddaqidalfaslkthwdsldglvhsigfapreaiagdfldgltrenfriahdis
    aysfpalakaalpmlsddaslltlsylgaeraipnyntmglakaaleasvrylavslgak
    gvrvnaisagpiktlaasgiksfgkildfvesnsplkrnvtieqvgnagafllsdlasgv
    taevmhvdsgfnavvggmagleeklaaalehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i7fL (L:)
    gfldgkrilltgllsnrsiaygiakackregaelaftyvgdrfkdritefaaefgselvf
    pcdvaddaqidalfaslkthwdsldglvhsigfapreaiagdfldgltrenfriahdisa
    ysfpalakaalpmlsddaslltlsylgaeraipnyntmglakaaleasvrylavslgakg
    vrvnaisagpiktlaasgiksfgkildfvesnsplkrnvtieqvgnagafllsdlasgvt
    aevmhvdsgfnavvggm