PDB entry 2vr4

View 2vr4 on RCSB PDB site
Description: transition-state mimicry in mannoside hydrolysis: characterisation of twenty six inhibitors and insight into binding from linear free energy relationships and 3-d structure
Class: hydrolase
Keywords: linear free energy relationship, hydrolase, transition state mimic, mannosidase, glycoside hydrolase
Deposited on 2008-03-25, released 2008-04-08
The last revision prior to the SCOPe 2.04 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: 0.179
AEROSPACI score: 0.52 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: beta-mannosidase
    Species: BACTEROIDES THETAIOTAOMICRON [TaxId:226186]
    Gene:
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q8AAK6 (Start-838)
    • PDB 2VR4
    Domains in SCOPe 2.04: d2vr4a1, d2vr4a2, d2vr4a3, d2vr4a4, d2vr4a5
  • Chain 'B':
    Compound: beta-mannosidase
    Species: BACTEROIDES THETAIOTAOMICRON [TaxId:226186]
    Gene:
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q8AAK6 (Start-838)
    • PDB 2VR4 (839-End)
    Domains in SCOPe 2.04: d2vr4b1, d2vr4b2, d2vr4b3, d2vr4b4, d2vr4b5
  • Heterogens: 17B, EDO, BR, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2vr4A (A:)
    qgndtsevmlldtgwefsqsgtekwmpatvpgtvhqdlishellpnpfygmnekkiqwve
    nedweyrtsfivseeqlnrdgiqlifegldtyadvylngslllkadnmfvgytlpvksvl
    rkgenhlyiyfhspirqtlpqyasngfnypadndhhekhlsvfsrkapysygwdwgirmv
    tsgvwrpvtlrfydiatisdyyvrqlsltdenarlsnelivnqivpqkipaevrvnvsln
    gttvtevkqqvtlqpginhitlpaevtnpvrwmpngwgtptlydfsaqiacgdrivaeqs
    hriglrtirvvnekdkdgesfyfevngipmfakganyipqdallpnvtteryqtlfrdmk
    eanmnmvriwgggtyennlfydladengilvwqdfmfactpypsdptflkrveaeavyni
    rrlrnhaslamwcgnneilealkywgfekkftpevyqglmhgydklfrellpstvkefds
    drfyvhsspylanwgrpeswgtgdshnwgvwygkkpfesldtdlprfmsefgfqsfpemk
    tiaafaapedyqiesevmnahqkssignslirtymerdyiipesfedfvyvglvlqgqgm
    rhgleahrrnrpycmgtlywqlndswpvvswssidyygnwkalhyqakrafapvlinpiq
    qndslsvylisdrldtmeqmtlemkvvdfdgktlgkkiqvhslevpantskcvyrakldg
    wltpedcrrsflklilkdksghqvaesvhffrktkdlqlpptsvsyqmkqtdgkceltlf
    ssmlakdifietplqgarysdnffdllpgerkkviitsprikkgeelpvnikhiretyke
    hhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >2vr4A (A:)
    ndtsevmlldtgwefsqsgtekwmpatvpgtvhqdlishellpnpfygmnekkiqwvene
    dweyrtsfivseeqlnrdgiqlifegldtyadvylngslllkadnmfvgytlpvksvlrk
    genhlyiyfhspirqtlpqyasngfnypadndhhekhlsvfsrkapysygwdwgirmvts
    gvwrpvtlrfydiatisdyyvrqlsltdenarlsnelivnqivpqkipaevrvnvslngt
    tvtevkqqvtlqpginhitlpaevtnpvrwmpngwgtptlydfsaqiacgdrivaeqshr
    iglrtirvvnekdkdgesfyfevngipmfakganyipqdallpnvtteryqtlfrdmkea
    nmnmvriwgggtyennlfydladengilvwqdfmfactpypsdptflkrveaeavynirr
    lrnhaslamwcgnneilealkywgfekkftpevyqglmhgydklfrellpstvkefdsdr
    fyvhsspylanwgrpeswgtgdshnwgvwygkkpfesldtdlprfmsefgfqsfpemkti
    aafaapedyqiesevmnahqkssignslirtymerdyiipesfedfvyvglvlqgqgmrh
    gleahrrnrpycmgtlywqlndswpvvswssidyygnwkalhyqakrafapvlinpiqqn
    dslsvylisdrldtmeqmtlemkvvdfdgktlgkkiqvhslevpantskcvyrakldgwl
    tpedcrrsflklilkdksghqvaesvhffrktkdlqlpptsvsyqmkqtdgkceltlfss
    mlakdifietplqgarysdnffdllpgerkkviitsprikkgelpvnikhiretyk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >2vr4B (B:)
    qgndtsevmlldtgwefsqsgtekwmpatvpgtvhqdlishellpnpfygmnekkiqwve
    nedweyrtsfivseeqlnrdgiqlifegldtyadvylngslllkadnmfvgytlpvksvl
    rkgenhlyiyfhspirqtlpqyasngfnypadndhhekhlsvfsrkapysygwdwgirmv
    tsgvwrpvtlrfydiatisdyyvrqlsltdenarlsnelivnqivpqkipaevrvnvsln
    gttvtevkqqvtlqpginhitlpaevtnpvrwmpngwgtptlydfsaqiacgdrivaeqs
    hriglrtirvvnekdkdgesfyfevngipmfakganyipqdallpnvtteryqtlfrdmk
    eanmnmvriwgggtyennlfydladengilvwqdfmfactpypsdptflkrveaeavyni
    rrlrnhaslamwcgnneilealkywgfekkftpevyqglmhgydklfrellpstvkefds
    drfyvhsspylanwgrpeswgtgdshnwgvwygkkpfesldtdlprfmsefgfqsfpemk
    tiaafaapedyqiesevmnahqkssignslirtymerdyiipesfedfvyvglvlqgqgm
    rhgleahrrnrpycmgtlywqlndswpvvswssidyygnwkalhyqakrafapvlinpiq
    qndslsvylisdrldtmeqmtlemkvvdfdgktlgkkiqvhslevpantskcvyrakldg
    wltpedcrrsflklilkdksghqvaesvhffrktkdlqlpptsvsyqmkqtdgkceltlf
    ssmlakdifietplqgarysdnffdllpgerkkviitsprikkgeelpvnikhiretyke
    hhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >2vr4B (B:)
    gndtsevmlldtgwefsqsgtekwmpatvpgtvhqdlishellpnpfygmnekkiqwven
    edweyrtsfivseeqlnrdgiqlifegldtyadvylngslllkadnmfvgytlpvksvlr
    kgenhlyiyfhspirqtlpqyasngfnypadndhhekhlsvfsrkapysygwdwgirmvt
    sgvwrpvtlrfydiatisdyyvrqlsltdenarlsnelivnqivpqkipaevrvnvslng
    ttvtevkqqvtlqpginhitlpaevtnpvrwmpngwgtptlydfsaqiacgdrivaeqsh
    riglrtirvvnekdkdgesfyfevngipmfakganyipqdallpnvtteryqtlfrdmke
    anmnmvriwgggtyennlfydladengilvwqdfmfactpypsdptflkrveaeavynir
    rlrnhaslamwcgnneilealkywgfekkftpevyqglmhgydklfrellpstvkefdsd
    rfyvhsspylanwgrpeswgtgdshnwgvwygkkpfesldtdlprfmsefgfqsfpemkt
    iaafaapedyqiesevmnahqkssignslirtymerdyiipesfedfvyvglvlqgqgmr
    hgleahrrnrpycmgtlywqlndswpvvswssidyygnwkalhyqakrafapvlinpiqq
    ndslsvylisdrldtmeqmtlemkvvdfdgktlgkkiqvhslevpantskcvyrakldgw
    ltpedcrrsflklilkdksghqvaesvhffrktkdlqlpptsvsyqmkqtdgkceltlfs
    smlakdifietplqgarysdnffdllpgerkkviitsprikkgeelpvnikhiretykeh
    h