PDB entry 4acf

View 4acf on RCSB PDB site
Description: crystal structure of mycobacterium tuberculosis glutamine synthetase in complex with imidazopyridine inhibitor ((4-(6-bromo-3-(butylamino)imidazo(1,2-a)pyridin-2-yl)phenoxy) acetic acid) and l-methionine-s-sulfoximine phosphate.
Class: ligase
Keywords: ligase, nucleotide-binding, synthetase, tri-substituted imidazole, taut state, rv2220, mt2278, glna1
Deposited on 2011-12-15, released 2012-10-24
The last revision prior to the SCOPe 2.07 freeze date was dated 2012-10-24, with a file datestamp of 2012-10-19.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.16695
AEROSPACI score: 0.48 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: glutamine synthetase 1
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4acfa1, d4acfa2
  • Chain 'B':
    Compound: glutamine synthetase 1
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4acfb1, d4acfb2
  • Chain 'C':
    Compound: glutamine synthetase 1
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4acfc1, d4acfc2
  • Chain 'D':
    Compound: glutamine synthetase 1
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4acfd1, d4acfd2
  • Chain 'E':
    Compound: glutamine synthetase 1
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4acfe1, d4acfe2
  • Chain 'F':
    Compound: glutamine synthetase 1
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4acff1, d4acff2
  • Heterogens: 46B, MG, P3S, PO4, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4acfA (A:)
    mahhhhhhgtektpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddgla
    fdgssirgfqsihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprnia
    rkaenylistgiadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadg
    spnrgykvrhkggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqf
    nsllhaaddmqlykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmyde
    tgyaglsdtarhyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvr
    ipitgsnpkakrlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppee
    aasipqtptqlsdvidrleadheylteggvftndlietwisfkreneiepvnirphpyef
    alyydv
    

    Sequence, based on observed residues (ATOM records): (download)
    >4acfA (A:)
    ktpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddglafdgssirgfqs
    ihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprniarkaenylistg
    iadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadgspnrgykvrhk
    ggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqfnsllhaaddmq
    lykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmydetgyaglsdtar
    hyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvripitgsnpkak
    rlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppeeaasipqtptql
    sdvidrleadheylteggvftndlietwisfkreneiepvnirphpyefalyydv
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4acfB (B:)
    mahhhhhhgtektpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddgla
    fdgssirgfqsihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprnia
    rkaenylistgiadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadg
    spnrgykvrhkggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqf
    nsllhaaddmqlykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmyde
    tgyaglsdtarhyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvr
    ipitgsnpkakrlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppee
    aasipqtptqlsdvidrleadheylteggvftndlietwisfkreneiepvnirphpyef
    alyydv
    

    Sequence, based on observed residues (ATOM records): (download)
    >4acfB (B:)
    ktpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddglafdgssirgfqs
    ihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprniarkaenylistg
    iadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadgspnrgykvrhk
    ggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqfnsllhaaddmq
    lykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmydetgyaglsdtar
    hyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvripitgsnpkak
    rlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppeeaasipqtptql
    sdvidrleadheylteggvftndlietwisfkreneiepvnirphpyefalyydv
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4acfC (C:)
    mahhhhhhgtektpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddgla
    fdgssirgfqsihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprnia
    rkaenylistgiadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadg
    spnrgykvrhkggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqf
    nsllhaaddmqlykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmyde
    tgyaglsdtarhyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvr
    ipitgsnpkakrlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppee
    aasipqtptqlsdvidrleadheylteggvftndlietwisfkreneiepvnirphpyef
    alyydv
    

    Sequence, based on observed residues (ATOM records): (download)
    >4acfC (C:)
    ktpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddglafdgssirgfqs
    ihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprniarkaenylistg
    iadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadgspnrgykvrhk
    ggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqfnsllhaaddmq
    lykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmydetgyaglsdtar
    hyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvripitgsnpkak
    rlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppeeaasipqtptql
    sdvidrleadheylteggvftndlietwisfkreneiepvnirphpyefalyydv
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4acfD (D:)
    mahhhhhhgtektpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddgla
    fdgssirgfqsihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprnia
    rkaenylistgiadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadg
    spnrgykvrhkggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqf
    nsllhaaddmqlykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmyde
    tgyaglsdtarhyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvr
    ipitgsnpkakrlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppee
    aasipqtptqlsdvidrleadheylteggvftndlietwisfkreneiepvnirphpyef
    alyydv
    

    Sequence, based on observed residues (ATOM records): (download)
    >4acfD (D:)
    ktpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddglafdgssirgfqs
    ihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprniarkaenylistg
    iadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadgspnrgykvrhk
    ggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqfnsllhaaddmq
    lykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmydetgyaglsdtar
    hyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvripitgsnpkak
    rlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppeeaasipqtptql
    sdvidrleadheylteggvftndlietwisfkreneiepvnirphpyefalyydv
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >4acfE (E:)
    mahhhhhhgtektpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddgla
    fdgssirgfqsihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprnia
    rkaenylistgiadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadg
    spnrgykvrhkggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqf
    nsllhaaddmqlykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmyde
    tgyaglsdtarhyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvr
    ipitgsnpkakrlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppee
    aasipqtptqlsdvidrleadheylteggvftndlietwisfkreneiepvnirphpyef
    alyydv
    

    Sequence, based on observed residues (ATOM records): (download)
    >4acfE (E:)
    ktpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddglafdgssirgfqs
    ihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprniarkaenylistg
    iadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadgspnrgykvrhk
    ggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqfnsllhaaddmq
    lykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmydetgyaglsdtar
    hyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvripitgsnpkak
    rlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppeeaasipqtptql
    sdvidrleadheylteggvftndlietwisfkreneiepvnirphpyefalyydv
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >4acfF (F:)
    mahhhhhhgtektpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddgla
    fdgssirgfqsihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprnia
    rkaenylistgiadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadg
    spnrgykvrhkggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqf
    nsllhaaddmqlykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmyde
    tgyaglsdtarhyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvr
    ipitgsnpkakrlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppee
    aasipqtptqlsdvidrleadheylteggvftndlietwisfkreneiepvnirphpyef
    alyydv
    

    Sequence, based on observed residues (ATOM records): (download)
    >4acfF (F:)
    ktpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddglafdgssirgfqs
    ihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprniarkaenylistg
    iadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadgspnrgykvrhk
    ggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqfnsllhaaddmq
    lykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmydetgyaglsdtar
    hyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvripitgsnpkak
    rlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppeeaasipqtptql
    sdvidrleadheylteggvftndlietwisfkreneiepvnirphpyefalyydv