PDB entry 3zxr

View 3zxr on RCSB PDB site
Description: Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with tri-substituted imidazole inhibitor (3-(2-tert-butyl- 5-(pyridin-4-yl)-1H-imidazol-4-yl)quinoline) and L-methionine-S- sulfoximine phosphate.
Class: ligase
Keywords: ligase, nucleotide-binding, taut state, rv2220, mt2278, glna1
Deposited on 2011-08-15, released 2012-04-04
The last revision prior to the SCOPe 2.06 freeze date was dated 2012-04-04, with a file datestamp of 2012-03-30.
Experiment type: XRAY
Resolution: 2.15 Å
R-factor: 0.22584
AEROSPACI score: 0.38 (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 2.06: d3zxra1, d3zxra2
  • Chain 'B':
    Compound: glutamine synthetase 1
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3zxrb1, d3zxrb2
  • Chain 'C':
    Compound: glutamine synthetase 1
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3zxrc1, d3zxrc2
  • Chain 'D':
    Compound: glutamine synthetase 1
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3zxrd1, d3zxrd2
  • Chain 'E':
    Compound: glutamine synthetase 1
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3zxre1, d3zxre2
  • Chain 'F':
    Compound: glutamine synthetase 1
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3zxrf1, d3zxrf2
  • Heterogens: IQ1, MG, P3S, PO4, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3zxrA (A:)
    mahhhhhhgtektpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddgla
    fdgssirgfqsihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprnia
    rkaenylistgiadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadg
    spnrgykvrhkggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqf
    nsllhaaddmqlykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmyde
    tgyaglsdtarhyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvr
    ipitgsnpkakrlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppee
    aasipqtptqlsdvidrleadheylteggvftndlietwisfkreneiepvnirphpyef
    alyydv
    

    Sequence, based on observed residues (ATOM records): (download)
    >3zxrA (A:)
    ktpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddglafdgssirgfqs
    ihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprniarkaenylistg
    iadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadgspnrgykvrhk
    ggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqfnsllhaaddmq
    lykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmydetgyaglsdtar
    hyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvripitgsnpkak
    rlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppeeaasipqtptql
    sdvidrleadheylteggvftndlietwisfkreneiepvnirphpyefalyydv
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3zxrB (B:)
    mahhhhhhgtektpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddgla
    fdgssirgfqsihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprnia
    rkaenylistgiadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadg
    spnrgykvrhkggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqf
    nsllhaaddmqlykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmyde
    tgyaglsdtarhyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvr
    ipitgsnpkakrlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppee
    aasipqtptqlsdvidrleadheylteggvftndlietwisfkreneiepvnirphpyef
    alyydv
    

    Sequence, based on observed residues (ATOM records): (download)
    >3zxrB (B:)
    ktpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddglafdgssirgfqs
    ihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprniarkaenylistg
    iadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadgspnrgykvrhk
    ggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqfnsllhaaddmq
    lykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmydetgyaglsdtar
    hyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvripitgsnpkak
    rlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppeeaasipqtptql
    sdvidrleadheylteggvftndlietwisfkreneiepvnirphpyefalyydv
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3zxrC (C:)
    mahhhhhhgtektpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddgla
    fdgssirgfqsihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprnia
    rkaenylistgiadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadg
    spnrgykvrhkggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqf
    nsllhaaddmqlykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmyde
    tgyaglsdtarhyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvr
    ipitgsnpkakrlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppee
    aasipqtptqlsdvidrleadheylteggvftndlietwisfkreneiepvnirphpyef
    alyydv
    

    Sequence, based on observed residues (ATOM records): (download)
    >3zxrC (C:)
    ktpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddglafdgssirgfqs
    ihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprniarkaenylistg
    iadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadgspnrgykvrhk
    ggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqfnsllhaaddmq
    lykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmydetgyaglsdtar
    hyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvripitgsnpkak
    rlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppeeaasipqtptql
    sdvidrleadheylteggvftndlietwisfkreneiepvnirphpyefalyydv
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3zxrD (D:)
    mahhhhhhgtektpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddgla
    fdgssirgfqsihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprnia
    rkaenylistgiadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadg
    spnrgykvrhkggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqf
    nsllhaaddmqlykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmyde
    tgyaglsdtarhyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvr
    ipitgsnpkakrlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppee
    aasipqtptqlsdvidrleadheylteggvftndlietwisfkreneiepvnirphpyef
    alyydv
    

    Sequence, based on observed residues (ATOM records): (download)
    >3zxrD (D:)
    ktpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddglafdgssirgfqs
    ihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprniarkaenylistg
    iadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadgspnrgykvrhk
    ggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqfnsllhaaddmq
    lykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmydetgyaglsdtar
    hyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvripitgsnpkak
    rlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppeeaasipqtptql
    sdvidrleadheylteggvftndlietwisfkreneiepvnirphpyefalyydv
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >3zxrE (E:)
    mahhhhhhgtektpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddgla
    fdgssirgfqsihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprnia
    rkaenylistgiadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadg
    spnrgykvrhkggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqf
    nsllhaaddmqlykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmyde
    tgyaglsdtarhyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvr
    ipitgsnpkakrlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppee
    aasipqtptqlsdvidrleadheylteggvftndlietwisfkreneiepvnirphpyef
    alyydv
    

    Sequence, based on observed residues (ATOM records): (download)
    >3zxrE (E:)
    ktpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddglafdgssirgfqs
    ihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprniarkaenylistg
    iadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadgspnrgykvrhk
    ggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqfnsllhaaddmq
    lykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmydetgyaglsdtar
    hyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvripitgsnpkak
    rlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppeeaasipqtptql
    sdvidrleadheylteggvftndlietwisfkreneiepvnirphpyefalyydv
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >3zxrF (F:)
    mahhhhhhgtektpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddgla
    fdgssirgfqsihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprnia
    rkaenylistgiadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadg
    spnrgykvrhkggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqf
    nsllhaaddmqlykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmyde
    tgyaglsdtarhyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvr
    ipitgsnpkakrlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppee
    aasipqtptqlsdvidrleadheylteggvftndlietwisfkreneiepvnirphpyef
    alyydv
    

    Sequence, based on observed residues (ATOM records): (download)
    >3zxrF (F:)
    ktpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddglafdgssirgfqs
    ihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprniarkaenylistg
    iadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadgspnrgykvrhk
    ggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqfnsllhaaddmq
    lykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmydetgyaglsdtar
    hyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvripitgsnpkak
    rlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppeeaasipqtptql
    sdvidrleadheylteggvftndlietwisfkreneiepvnirphpyefalyydv