PDB entry 2whi

View 2whi on RCSB PDB site
Description: crystal structure of mycobacterium tuberculosis glutamine synthetase in complex with a purine analogue inhibitor and l-methionine-s-sulfoximine phosphate.
Class: ligase
Keywords: nucleotide-binding, transition state mimic, taut state, ATP-binding, purine analogue, glna1, mt2278, ligase, rv2220, cytoplasm, synthetase
Deposited on 2009-05-05, released 2009-09-01
The last revision prior to the SCOPe 2.05 freeze date was dated 2009-10-13, with a file datestamp of 2009-10-09.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: 0.21186
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):
    • PDB 2WHI
    • Uniprot P0A590 (Start-485)
    Domains in SCOPe 2.05: d2whia1, d2whia2
  • Chain 'B':
    Compound: glutamine synthetase 1
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Database cross-references and differences (RAF-indexed):
    • PDB 2WHI
    • Uniprot P0A590 (Start-485)
    Domains in SCOPe 2.05: d2whib1, d2whib2
  • Chain 'C':
    Compound: glutamine synthetase 1
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Database cross-references and differences (RAF-indexed):
    • PDB 2WHI
    • Uniprot P0A590 (Start-485)
    Domains in SCOPe 2.05: d2whic1, d2whic2
  • Chain 'D':
    Compound: glutamine synthetase 1
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Database cross-references and differences (RAF-indexed):
    • PDB 2WHI
    • Uniprot P0A590 (Start-485)
    Domains in SCOPe 2.05: d2whid1, d2whid2
  • Chain 'E':
    Compound: glutamine synthetase 1
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Database cross-references and differences (RAF-indexed):
    • PDB 2WHI
    • Uniprot P0A590 (Start-485)
    Domains in SCOPe 2.05: d2whie1, d2whie2
  • Chain 'F':
    Compound: glutamine synthetase 1
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Database cross-references and differences (RAF-indexed):
    • PDB 2WHI
    • Uniprot P0A590 (Start-485)
    Domains in SCOPe 2.05: d2whif1, d2whif2
  • Heterogens: 1AZ, MG, P3S, PO4, CL, 1PE, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2whiA (A:)
    mahhhhhhgtektpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddgla
    fdgssirgfqsihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprnia
    rkaenylistgiadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadg
    spnrgykvrhkggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqf
    nsllhaaddmqlykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmyde
    tgyaglsdtarhyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvr
    ipitgsnpkakrlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppee
    aasipqtptqlsdvidrleadheylteggvftndlietwisfkreneiepvnirphpyef
    alyydv
    

    Sequence, based on observed residues (ATOM records): (download)
    >2whiA (A:)
    ektpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddglafdgssirgfq
    sihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprniarkaenylist
    giadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadgspnrgykvrh
    kggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqfnsllhaaddm
    qlykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmydetgyaglsdta
    rhyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvripitgsnpka
    krlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppeeaasipqtptq
    lsdvidrleadheylteggvftndlietwisfkreneiepvnirphpyefalyydv
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >2whiB (B:)
    mahhhhhhgtektpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddgla
    fdgssirgfqsihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprnia
    rkaenylistgiadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadg
    spnrgykvrhkggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqf
    nsllhaaddmqlykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmyde
    tgyaglsdtarhyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvr
    ipitgsnpkakrlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppee
    aasipqtptqlsdvidrleadheylteggvftndlietwisfkreneiepvnirphpyef
    alyydv
    

    Sequence, based on observed residues (ATOM records): (download)
    >2whiB (B:)
    ektpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddglafdgssirgfq
    sihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprniarkaenylist
    giadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadgspnrgykvrh
    kggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqfnsllhaaddm
    qlykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmydetgyaglsdta
    rhyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvripitgsnpka
    krlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppeeaasipqtptq
    lsdvidrleadheylteggvftndlietwisfkreneiepvnirphpyefalyydv
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >2whiC (C:)
    mahhhhhhgtektpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddgla
    fdgssirgfqsihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprnia
    rkaenylistgiadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadg
    spnrgykvrhkggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqf
    nsllhaaddmqlykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmyde
    tgyaglsdtarhyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvr
    ipitgsnpkakrlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppee
    aasipqtptqlsdvidrleadheylteggvftndlietwisfkreneiepvnirphpyef
    alyydv
    

    Sequence, based on observed residues (ATOM records): (download)
    >2whiC (C:)
    ektpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddglafdgssirgfq
    sihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprniarkaenylist
    giadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadgspnrgykvrh
    kggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqfnsllhaaddm
    qlykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmydetgyaglsdta
    rhyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvripitgsnpka
    krlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppeeaasipqtptq
    lsdvidrleadheylteggvftndlietwisfkreneiepvnirphpyefalyydv
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >2whiD (D:)
    mahhhhhhgtektpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddgla
    fdgssirgfqsihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprnia
    rkaenylistgiadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadg
    spnrgykvrhkggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqf
    nsllhaaddmqlykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmyde
    tgyaglsdtarhyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvr
    ipitgsnpkakrlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppee
    aasipqtptqlsdvidrleadheylteggvftndlietwisfkreneiepvnirphpyef
    alyydv
    

    Sequence, based on observed residues (ATOM records): (download)
    >2whiD (D:)
    ektpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddglafdgssirgfq
    sihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprniarkaenylist
    giadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadgspnrgykvrh
    kggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqfnsllhaaddm
    qlykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmydetgyaglsdta
    rhyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvripitgsnpka
    krlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppeeaasipqtptq
    lsdvidrleadheylteggvftndlietwisfkreneiepvnirphpyefalyydv
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >2whiE (E:)
    mahhhhhhgtektpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddgla
    fdgssirgfqsihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprnia
    rkaenylistgiadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadg
    spnrgykvrhkggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqf
    nsllhaaddmqlykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmyde
    tgyaglsdtarhyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvr
    ipitgsnpkakrlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppee
    aasipqtptqlsdvidrleadheylteggvftndlietwisfkreneiepvnirphpyef
    alyydv
    

    Sequence, based on observed residues (ATOM records): (download)
    >2whiE (E:)
    ektpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddglafdgssirgfq
    sihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprniarkaenylist
    giadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadgspnrgykvrh
    kggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqfnsllhaaddm
    qlykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmydetgyaglsdta
    rhyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvripitgsnpka
    krlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppeeaasipqtptq
    lsdvidrleadheylteggvftndlietwisfkreneiepvnirphpyefalyydv
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >2whiF (F:)
    mahhhhhhgtektpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddgla
    fdgssirgfqsihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprnia
    rkaenylistgiadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadg
    spnrgykvrhkggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqf
    nsllhaaddmqlykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmyde
    tgyaglsdtarhyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvr
    ipitgsnpkakrlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppee
    aasipqtptqlsdvidrleadheylteggvftndlietwisfkreneiepvnirphpyef
    alyydv
    

    Sequence, based on observed residues (ATOM records): (download)
    >2whiF (F:)
    ektpddvfklakdekveyvdvrfcdlpgimqhftipasafdksvfddglafdgssirgfq
    sihesdmlllpdpetaridpfraaktlninffvhdpftlepysrdprniarkaenylist
    giadtayfgaeaefyifdsvsfdsrangsfyevdaisgwwntgaateadgspnrgykvrh
    kggyfpvapndqyvdlrdkmltnlinsgfilekghhevgsggqaeinyqfnsllhaaddm
    qlykyiikntawqngktvtfmpkplfgdngsgmhchqslwkdgaplmydetgyaglsdta
    rhyiggllhhapsllaftnptvnsykrlvpgyeapinlvysqrnrsacvripitgsnpka
    krlefrspdssgnpylafsamlmagldgiknkiepqapvdkdlyelppeeaasipqtptq
    lsdvidrleadheylteggvftndlietwisfkreneiepvnirphpyefalyydv