PDB entry 2vqu

View 2vqu on RCSB PDB site
Description: structural and biochemical evidence for a boat-like transition state in beta-mannosidases
Class: hydrolase
Keywords: linear free energy relationship, transition state mimic, mannosidase, glycoside hydrolase, hydrolase
Deposited on 2008-03-18, released 2008-04-01
The last revision prior to the SCOPe 2.07 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.179
AEROSPACI score: 0.49 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: beta-mannosidase
    Species: Bacteroides thetaiotaomicron [TaxId:818]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q8AAK6 (Start-838)
      • engineered mutation (619)
    • PDB 2VQU
    Domains in SCOPe 2.07: d2vqua1, d2vqua2, d2vqua3, d2vqua4, d2vqua5
  • Chain 'B':
    Compound: beta-mannosidase
    Species: Bacteroides thetaiotaomicron [TaxId:818]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q8AAK6 (Start-838)
      • engineered mutation (619)
    • PDB 2VQU (839-End)
    Domains in SCOPe 2.07: d2vqub1, d2vqub2, d2vqub3, d2vqub4, d2vqub5, d2vqub6
  • Heterogens: EDO, NOY, BR, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2vquA (A:)
    qgndtsevmlldtgwefsqsgtekwmpatvpgtvhqdlishellpnpfygmnekkiqwve
    nedweyrtsfivseeqlnrdgiqlifegldtyadvylngslllkadnmfvgytlpvksvl
    rkgenhlyiyfhspirqtlpqyasngfnypadndhhekhlsvfsrkapysygwdwgirmv
    tsgvwrpvtlrfydiatisdyyvrqlsltdenarlsnelivnqivpqkipaevrvnvsln
    gttvtevkqqvtlqpginhitlpaevtnpvrwmpngwgtptlydfsaqiacgdrivaeqs
    hriglrtirvvnekdkdgesfyfevngipmfakganyipqdallpnvtteryqtlfrdmk
    eanmnmvriwgggtyennlfydladengilvwqdfmfactpypsdptflkrveaeavyni
    rrlrnhaslamwcgnneilealkywgfekkftpevyqglmhgydklfrellpstvkefds
    drfyvhsspylanwgrpeswgtgdshnwgvwygkkpfesldtdlprfmsefgfqsfpemk
    tiaafaapedyqiesevmnahqkssignslirtymerdyiipesfedfvyvglvlqgqgm
    rhgleahrrnrpycmgtlyaqlndswpvvswssidyygnwkalhyqakrafapvlinpiq
    qndslsvylisdrldtmeqmtlemkvvdfdgktlgkkiqvhslevpantskcvyrakldg
    wltpedcrrsflklilkdksghqvaesvhffrktkdlqlpptsvsyqmkqtdgkceltlf
    ssmlakdifietplqgarysdnffdllpgerkkviitsprikkgeelpvnikhiretyke
    hhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >2vquA (A:)
    ndtsevmlldtgwefsqsgtekwmpatvpgtvhqdlishellpnpfygmnekkiqwvene
    dweyrtsfivseeqlnrdgiqlifegldtyadvylngslllkadnmfvgytlpvksvlrk
    genhlyiyfhspirqtlpqyasngfnypadndhhekhlsvfsrkapysygwdwgirmvts
    gvwrpvtlrfydiatisdyyvrqlsltdenarlsnelivnqivpqkipaevrvnvslngt
    tvtevkqqvtlqpginhitlpaevtnpvrwmpngwgtptlydfsaqiacgrivaeqshri
    glrtirvvnekdkdgesfyfevngipmfakganyipqdallpnvtteryqtlfrdmkean
    mnmvriwgggtyennlfydladengilvwqdfmfactpypsdptflkrveaeavynirrl
    rnhaslamwcgnneilealkywgfekkftpevyqglmhgydklfrellpstvkefdsdrf
    yvhsspylanwgrpeswgtgdshnwgvwygkkpfesldtdlprfmsefgfqsfpemktia
    afaapedyqiesevmnahqkssignslirtymerdyiipesfedfvyvglvlqgqgmrhg
    leahrrnrpycmgtlyaqlndswpvvswssidyygnwkalhyqakrafapvlinpiqqnd
    slsvylisdrldtmeqmtlemkvvdfdgktlgkkiqvhslevpantskcvyrakldgwlt
    pedcrrsflklilkdksghqvaesvhffrktkdlqlpptsvsyqmkqtdgkceltlfssm
    lakdifietplqgarysdnffdllpgerkkviitsprikkgeelpvnikhiretyk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >2vquB (B:)
    qgndtsevmlldtgwefsqsgtekwmpatvpgtvhqdlishellpnpfygmnekkiqwve
    nedweyrtsfivseeqlnrdgiqlifegldtyadvylngslllkadnmfvgytlpvksvl
    rkgenhlyiyfhspirqtlpqyasngfnypadndhhekhlsvfsrkapysygwdwgirmv
    tsgvwrpvtlrfydiatisdyyvrqlsltdenarlsnelivnqivpqkipaevrvnvsln
    gttvtevkqqvtlqpginhitlpaevtnpvrwmpngwgtptlydfsaqiacgdrivaeqs
    hriglrtirvvnekdkdgesfyfevngipmfakganyipqdallpnvtteryqtlfrdmk
    eanmnmvriwgggtyennlfydladengilvwqdfmfactpypsdptflkrveaeavyni
    rrlrnhaslamwcgnneilealkywgfekkftpevyqglmhgydklfrellpstvkefds
    drfyvhsspylanwgrpeswgtgdshnwgvwygkkpfesldtdlprfmsefgfqsfpemk
    tiaafaapedyqiesevmnahqkssignslirtymerdyiipesfedfvyvglvlqgqgm
    rhgleahrrnrpycmgtlyaqlndswpvvswssidyygnwkalhyqakrafapvlinpiq
    qndslsvylisdrldtmeqmtlemkvvdfdgktlgkkiqvhslevpantskcvyrakldg
    wltpedcrrsflklilkdksghqvaesvhffrktkdlqlpptsvsyqmkqtdgkceltlf
    ssmlakdifietplqgarysdnffdllpgerkkviitsprikkgeelpvnikhiretyke
    hhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >2vquB (B:)
    ndtsevmlldtgwefsqsgtekwmpatvpgtvhqdlishellpnpfygmnekkiqwvene
    dweyrtsfivseeqlnrdgiqlifegldtyadvylngslllkadnmfvgytlpvksvlrk
    genhlyiyfhspirqtlpqyasngfnypadndhhekhlsvfsrkapysygwdwgirmvts
    gvwrpvtlrfydiatisdyyvrqlsltdenarlsnelivnqivpqkipaevrvnvslngt
    tvtevkqqvtlqpginhitlpaevtnpvrwmpngwgtptlydfsaqiacgdrivaeqshr
    iglrtirvvnekdkdgesfyfevngipmfakganyipqdallpnvtteryqtlfrdmkea
    nmnmvriwgggtyennlfydladengilvwqdfmfactpypsdptflkrveaeavynirr
    lrnhaslamwcgnneilealkywgfekkftpevyqglmhgydklfrellpstvkefdsdr
    fyvhsspylanwgrpeswgtgdshnwgvwygkkpfesldtdlprfmsefgfqsfpemkti
    aafaapedyqiesevmnahqkssignslirtymerdyiipesfedfvyvglvlqgqgmrh
    gleahrrnrpycmgtlyaqlndswpvvswssidyygnwkalhyqakrafapvlinpiqqn
    dslsvylisdrldtmeqmtlemkvvdfdgktlgkkiqvhslevpantskcvyrakldgwl
    tpedcrrsflklilkdksghqvaesvhffrktkdlqlpptsvsyqmkqtdgkceltlfss
    mlakdifietplqgarysdnffdllpgerkkviitsprikkgeelpvnikhiretykehh