PDB entry 2vqt

View 2vqt 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, hydrolase, mannosidase, glycoside hydrolase
Deposited on 2008-03-18, released 2008-04-08
The last revision prior to the SCOPe 2.03 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.172
AEROSPACI score: 0.44 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: beta-mannosidase
    Species: Bacteroides thetaiotaomicron [TaxId:818]
    Gene:
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q8AAK6 (Start-838)
    • PDB 2VQT
    Domains in SCOPe 2.03: d2vqta1, d2vqta2, d2vqta3, d2vqta4, d2vqta5
  • Chain 'B':
    Compound: beta-mannosidase
    Species: Bacteroides thetaiotaomicron [TaxId:818]
    Gene:
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q8AAK6 (Start-838)
    • PDB 2VQT (839-End)
    Domains in SCOPe 2.03: d2vqtb1, d2vqtb2, d2vqtb3, d2vqtb4, d2vqtb5
  • Heterogens: 15A, EDO, BR, CL, HOH

PDB Chain Sequences:

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

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

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

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