PDB entry 3zxv

View 3zxv on RCSB PDB site
Description: Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with tri-substituted imidazole inhibitor (4-(2-tert-butyl- 4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl)pyridin-2-amine) and L- methionine-S-sulfoximine phosphate
Class: ligase
Keywords: ligase, nucleotide-binding, taut state, rv2220, mt2278, glna1
Deposited on 2011-08-16, released 2012-04-04
The last revision prior to the SCOPe 2.07 freeze date was dated 2012-04-04, with a file datestamp of 2012-03-30.
Experiment type: XRAY
Resolution: 2.26 Å
R-factor: 0.19584
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 2.07: d3zxva1, d3zxva2
  • Chain 'B':
    Compound: glutamine synthetase 1
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3zxvb1, d3zxvb2
  • Chain 'C':
    Compound: glutamine synthetase 1
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3zxvc1, d3zxvc2
  • Chain 'D':
    Compound: glutamine synthetase 1
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3zxvd1, d3zxvd2
  • Chain 'E':
    Compound: glutamine synthetase 1
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3zxve1, d3zxve2
  • Chain 'F':
    Compound: glutamine synthetase 1
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3zxvf1, d3zxvf2
  • Heterogens: MXI, MG, P3S, PO4, CL, HOH

PDB Chain Sequences:

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

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

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

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

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

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

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

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

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

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

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

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