PDB entry 2bfg

View 2bfg on RCSB PDB site
Description: crystal structure of beta-xylosidase (fam gh39) in complex with dinitrophenyl-beta-xyloside and covalently bound xyloside
Class: hydrolase
Keywords: beta-xylosidase, complex of the covalent intermediate, enzyme/substrate complex, family gh39, thermophilic enzyme, hydrolase
Deposited on 2004-12-07, released 2005-10-12
The last revision prior to the SCOP 1.75 freeze date was dated 2005-10-26, with a file datestamp of 2007-06-28.
Experiment type: XRAY
Resolution: 2.4 Å
R-factor: 0.198
AEROSPACI score: 0.37 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: beta-xylosidase
    Species: BACILLUS STEAROTHERMOPHILUS
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9ZFM2 (446-500)
      • conflict (1)
      • engineered mutation (159)
      • conflict (405)
    • PDB 2BFG (443-445)
    Domains in SCOP 1.75: d2bfga1, d2bfga2
  • Chain 'B':
    Compound: beta-xylosidase
    Species: BACILLUS STEAROTHERMOPHILUS
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9ZFM2 (446-500)
      • conflict (1)
      • engineered mutation (159)
      • conflict (405)
    • PDB 2BFG (443-445)
    Domains in SCOP 1.75: d2bfgb1, d2bfgb2
  • Chain 'C':
    Compound: beta-xylosidase
    Species: BACILLUS STEAROTHERMOPHILUS
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9ZFM2 (446-500)
      • conflict (1)
      • engineered mutation (159)
      • conflict (405)
    • PDB 2BFG (443-445)
    Domains in SCOP 1.75: d2bfgc1, d2bfgc2
  • Chain 'D':
    Compound: beta-xylosidase
    Species: BACILLUS STEAROTHERMOPHILUS
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9ZFM2 (446-500)
      • conflict (1)
      • engineered mutation (159)
      • conflict (405)
    • PDB 2BFG (443-445)
    Domains in SCOP 1.75: d2bfgd1, d2bfgd2
  • Chain 'E':
    Compound: beta-xylosidase
    Species: BACILLUS STEAROTHERMOPHILUS
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9ZFM2 (446-500)
      • conflict (1)
      • engineered mutation (159)
      • conflict (405)
    • PDB 2BFG (443-445)
    Domains in SCOP 1.75: d2bfge1, d2bfge2
  • Chain 'F':
    Compound: beta-xylosidase
    Species: BACILLUS STEAROTHERMOPHILUS
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9ZFM2 (446-500)
      • conflict (1)
      • engineered mutation (159)
      • conflict (405)
    • PDB 2BFG (443-445)
    Domains in SCOP 1.75: d2bfgf1, d2bfgf2
  • Chain 'G':
    Compound: beta-xylosidase
    Species: BACILLUS STEAROTHERMOPHILUS
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9ZFM2 (446-500)
      • conflict (1)
      • engineered mutation (159)
      • conflict (405)
    • PDB 2BFG (443-445)
    Domains in SCOP 1.75: d2bfgg1, d2bfgg2
  • Chain 'H':
    Compound: beta-xylosidase
    Species: BACILLUS STEAROTHERMOPHILUS
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9ZFM2 (446-500)
      • conflict (1)
      • engineered mutation (159)
      • conflict (405)
    • PDB 2BFG (443-445)
    Domains in SCOP 1.75: d2bfgh1, d2bfgh2
  • Heterogens: XYS, NA, SO4, ANX, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2bfgA (A:)
    mgvvnvpsngrekfkknwkfcvgtgrlglalqkeyldhlklvqekigfryirghgllsdd
    vgiyreveidgemkpfynftyidrivdsylalnirpfiefgfmpkalasgdqtvfywkgn
    vtppkdynkwrdlivavvshfierygieevrtwlfevwnapnlvnfwkdankqeyfklye
    vtaravksvdphlqvggpaicggsdewitdflhfcaerrvpvdfvsrhaytskaphkktf
    eyyyqeleppedmleqfktvralirqspfphlplhiteyntsyspinpvhdtalnaayia
    rilseggdyvdsfsywtfsdvfeemdvpkalfhggfglvalhsipkptfhaftffnalgd
    ellyrdgemivtrrkdgsiaavlwnlvmekgegltkevqlvipvsesavfikrqivneqy
    gnawrvwkqmgrprfpsrqavetlrqvaqphvmteqrratdgvihlsivlsknevtliei
    eqvrdetstyvglddgeitsyss
    

    Sequence, based on observed residues (ATOM records): (download)
    >2bfgA (A:)
    gvvnvpsngrekfkknwkfcvgtgrlglalqkeyldhlklvqekigfryirghgllsddv
    giyreveidgemkpfynftyidrivdsylalnirpfiefgfmpkalasgdqtvfywkgnv
    tppkdynkwrdlivavvshfierygieevrtwlfevwnapnlvnfwkdankqeyfklyev
    taravksvdphlqvggpaicggsdewitdflhfcaerrvpvdfvsrhaytskaphkktfe
    yyyqeleppedmleqfktvralirqspfphlplhiteyntsyspinpvhdtalnaayiar
    ilseggdyvdsfsywtfsdvfeemdvpkalfhggfglvalhsipkptfhaftffnalgde
    llyrdgemivtrrkdgsiaavlwnlvmekgegltkevqlvipvsesavfikrqivneqyg
    nawrvwkqmgrprfpsrqavetlrqvaqphvmteqrratdgvihlsivlsknevtlieie
    qvrdetstyvglddgeitsys
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >2bfgB (B:)
    mgvvnvpsngrekfkknwkfcvgtgrlglalqkeyldhlklvqekigfryirghgllsdd
    vgiyreveidgemkpfynftyidrivdsylalnirpfiefgfmpkalasgdqtvfywkgn
    vtppkdynkwrdlivavvshfierygieevrtwlfevwnapnlvnfwkdankqeyfklye
    vtaravksvdphlqvggpaicggsdewitdflhfcaerrvpvdfvsrhaytskaphkktf
    eyyyqeleppedmleqfktvralirqspfphlplhiteyntsyspinpvhdtalnaayia
    rilseggdyvdsfsywtfsdvfeemdvpkalfhggfglvalhsipkptfhaftffnalgd
    ellyrdgemivtrrkdgsiaavlwnlvmekgegltkevqlvipvsesavfikrqivneqy
    gnawrvwkqmgrprfpsrqavetlrqvaqphvmteqrratdgvihlsivlsknevtliei
    eqvrdetstyvglddgeitsyss
    

    Sequence, based on observed residues (ATOM records): (download)
    >2bfgB (B:)
    gvvnvpsngrekfkknwkfcvgtgrlglalqkeyldhlklvqekigfryirghgllsddv
    giyreveidgemkpfynftyidrivdsylalnirpfiefgfmpkalasgdqtvfywkgnv
    tppkdynkwrdlivavvshfierygieevrtwlfevwnapnlvnfwkdankqeyfklyev
    taravksvdphlqvggpaicggsdewitdflhfcaerrvpvdfvsrhaytskaphkktfe
    yyyqeleppedmleqfktvralirqspfphlplhiteyntsyspinpvhdtalnaayiar
    ilseggdyvdsfsywtfsdvfeemdvpkalfhggfglvalhsipkptfhaftffnalgde
    llyrdgemivtrrkdgsiaavlwnlvmekgegltkevqlvipvsesavfikrqivneqyg
    nawrvwkqmgrprfpsrqavetlrqvaqphvmteqrratdgvihlsivlsknevtlieie
    qvrdetstyvglddgeitsys
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >2bfgC (C:)
    mgvvnvpsngrekfkknwkfcvgtgrlglalqkeyldhlklvqekigfryirghgllsdd
    vgiyreveidgemkpfynftyidrivdsylalnirpfiefgfmpkalasgdqtvfywkgn
    vtppkdynkwrdlivavvshfierygieevrtwlfevwnapnlvnfwkdankqeyfklye
    vtaravksvdphlqvggpaicggsdewitdflhfcaerrvpvdfvsrhaytskaphkktf
    eyyyqeleppedmleqfktvralirqspfphlplhiteyntsyspinpvhdtalnaayia
    rilseggdyvdsfsywtfsdvfeemdvpkalfhggfglvalhsipkptfhaftffnalgd
    ellyrdgemivtrrkdgsiaavlwnlvmekgegltkevqlvipvsesavfikrqivneqy
    gnawrvwkqmgrprfpsrqavetlrqvaqphvmteqrratdgvihlsivlsknevtliei
    eqvrdetstyvglddgeitsyss
    

    Sequence, based on observed residues (ATOM records): (download)
    >2bfgC (C:)
    gvvnvpsngrekfkknwkfcvgtgrlglalqkeyldhlklvqekigfryirghgllsddv
    giyreveidgemkpfynftyidrivdsylalnirpfiefgfmpkalasgdqtvfywkgnv
    tppkdynkwrdlivavvshfierygieevrtwlfevwnapnlvnfwkdankqeyfklyev
    taravksvdphlqvggpaicggsdewitdflhfcaerrvpvdfvsrhaytskaphkktfe
    yyyqeleppedmleqfktvralirqspfphlplhiteyntsyspinpvhdtalnaayiar
    ilseggdyvdsfsywtfsdvfeemdvpkalfhggfglvalhsipkptfhaftffnalgde
    llyrdgemivtrrkdgsiaavlwnlvmekgegltkevqlvipvsesavfikrqivneqyg
    nawrvwkqmgrprfpsrqavetlrqvaqphvmteqrratdgvihlsivlsknevtlieie
    qvrdetstyvglddgeitsys
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >2bfgD (D:)
    mgvvnvpsngrekfkknwkfcvgtgrlglalqkeyldhlklvqekigfryirghgllsdd
    vgiyreveidgemkpfynftyidrivdsylalnirpfiefgfmpkalasgdqtvfywkgn
    vtppkdynkwrdlivavvshfierygieevrtwlfevwnapnlvnfwkdankqeyfklye
    vtaravksvdphlqvggpaicggsdewitdflhfcaerrvpvdfvsrhaytskaphkktf
    eyyyqeleppedmleqfktvralirqspfphlplhiteyntsyspinpvhdtalnaayia
    rilseggdyvdsfsywtfsdvfeemdvpkalfhggfglvalhsipkptfhaftffnalgd
    ellyrdgemivtrrkdgsiaavlwnlvmekgegltkevqlvipvsesavfikrqivneqy
    gnawrvwkqmgrprfpsrqavetlrqvaqphvmteqrratdgvihlsivlsknevtliei
    eqvrdetstyvglddgeitsyss
    

    Sequence, based on observed residues (ATOM records): (download)
    >2bfgD (D:)
    gvvnvpsngrekfkknwkfcvgtgrlglalqkeyldhlklvqekigfryirghgllsddv
    giyreveidgemkpfynftyidrivdsylalnirpfiefgfmpkalasgdqtvfywkgnv
    tppkdynkwrdlivavvshfierygieevrtwlfevwnapnlvnfwkdankqeyfklyev
    taravksvdphlqvggpaicggsdewitdflhfcaerrvpvdfvsrhaytskaphkktfe
    yyyqeleppedmleqfktvralirqspfphlplhiteyntsyspinpvhdtalnaayiar
    ilseggdyvdsfsywtfsdvfeemdvpkalfhggfglvalhsipkptfhaftffnalgde
    llyrdgemivtrrkdgsiaavlwnlvmekgegltkevqlvipvsesavfikrqivneqyg
    nawrvwkqmgrprfpsrqavetlrqvaqphvmteqrratdgvihlsivlsknevtlieie
    qvrdetstyvglddgeitsys
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >2bfgE (E:)
    mgvvnvpsngrekfkknwkfcvgtgrlglalqkeyldhlklvqekigfryirghgllsdd
    vgiyreveidgemkpfynftyidrivdsylalnirpfiefgfmpkalasgdqtvfywkgn
    vtppkdynkwrdlivavvshfierygieevrtwlfevwnapnlvnfwkdankqeyfklye
    vtaravksvdphlqvggpaicggsdewitdflhfcaerrvpvdfvsrhaytskaphkktf
    eyyyqeleppedmleqfktvralirqspfphlplhiteyntsyspinpvhdtalnaayia
    rilseggdyvdsfsywtfsdvfeemdvpkalfhggfglvalhsipkptfhaftffnalgd
    ellyrdgemivtrrkdgsiaavlwnlvmekgegltkevqlvipvsesavfikrqivneqy
    gnawrvwkqmgrprfpsrqavetlrqvaqphvmteqrratdgvihlsivlsknevtliei
    eqvrdetstyvglddgeitsyss
    

    Sequence, based on observed residues (ATOM records): (download)
    >2bfgE (E:)
    gvvnvpsngrekfkknwkfcvgtgrlglalqkeyldhlklvqekigfryirghgllsddv
    giyreveidgemkpfynftyidrivdsylalnirpfiefgfmpkalasgdqtvfywkgnv
    tppkdynkwrdlivavvshfierygieevrtwlfevwnapnlvnfwkdankqeyfklyev
    taravksvdphlqvggpaicggsdewitdflhfcaerrvpvdfvsrhaytskaphkktfe
    yyyqeleppedmleqfktvralirqspfphlplhiteyntsyspinpvhdtalnaayiar
    ilseggdyvdsfsywtfsdvfeemdvpkalfhggfglvalhsipkptfhaftffnalgde
    llyrdgemivtrrkdgsiaavlwnlvmekgegltkevqlvipvsesavfikrqivneqyg
    nawrvwkqmgrprfpsrqavetlrqvaqphvmteqrratdgvihlsivlsknevtlieie
    qvrdetstyvglddgeitsys
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >2bfgF (F:)
    mgvvnvpsngrekfkknwkfcvgtgrlglalqkeyldhlklvqekigfryirghgllsdd
    vgiyreveidgemkpfynftyidrivdsylalnirpfiefgfmpkalasgdqtvfywkgn
    vtppkdynkwrdlivavvshfierygieevrtwlfevwnapnlvnfwkdankqeyfklye
    vtaravksvdphlqvggpaicggsdewitdflhfcaerrvpvdfvsrhaytskaphkktf
    eyyyqeleppedmleqfktvralirqspfphlplhiteyntsyspinpvhdtalnaayia
    rilseggdyvdsfsywtfsdvfeemdvpkalfhggfglvalhsipkptfhaftffnalgd
    ellyrdgemivtrrkdgsiaavlwnlvmekgegltkevqlvipvsesavfikrqivneqy
    gnawrvwkqmgrprfpsrqavetlrqvaqphvmteqrratdgvihlsivlsknevtliei
    eqvrdetstyvglddgeitsyss
    

    Sequence, based on observed residues (ATOM records): (download)
    >2bfgF (F:)
    gvvnvpsngrekfkknwkfcvgtgrlglalqkeyldhlklvqekigfryirghgllsddv
    giyreveidgemkpfynftyidrivdsylalnirpfiefgfmpkalasgdqtvfywkgnv
    tppkdynkwrdlivavvshfierygieevrtwlfevwnapnlvnfwkdankqeyfklyev
    taravksvdphlqvggpaicggsdewitdflhfcaerrvpvdfvsrhaytskaphkktfe
    yyyqeleppedmleqfktvralirqspfphlplhiteyntsyspinpvhdtalnaayiar
    ilseggdyvdsfsywtfsdvfeemdvpkalfhggfglvalhsipkptfhaftffnalgde
    llyrdgemivtrrkdgsiaavlwnlvmekgegltkevqlvipvsesavfikrqivneqyg
    nawrvwkqmgrprfpsrqavetlrqvaqphvmteqrratdgvihlsivlsknevtlieie
    qvrdetstyvglddgeitsys
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >2bfgG (G:)
    mgvvnvpsngrekfkknwkfcvgtgrlglalqkeyldhlklvqekigfryirghgllsdd
    vgiyreveidgemkpfynftyidrivdsylalnirpfiefgfmpkalasgdqtvfywkgn
    vtppkdynkwrdlivavvshfierygieevrtwlfevwnapnlvnfwkdankqeyfklye
    vtaravksvdphlqvggpaicggsdewitdflhfcaerrvpvdfvsrhaytskaphkktf
    eyyyqeleppedmleqfktvralirqspfphlplhiteyntsyspinpvhdtalnaayia
    rilseggdyvdsfsywtfsdvfeemdvpkalfhggfglvalhsipkptfhaftffnalgd
    ellyrdgemivtrrkdgsiaavlwnlvmekgegltkevqlvipvsesavfikrqivneqy
    gnawrvwkqmgrprfpsrqavetlrqvaqphvmteqrratdgvihlsivlsknevtliei
    eqvrdetstyvglddgeitsyss
    

    Sequence, based on observed residues (ATOM records): (download)
    >2bfgG (G:)
    gvvnvpsngrekfkknwkfcvgtgrlglalqkeyldhlklvqekigfryirghgllsddv
    giyreveidgemkpfynftyidrivdsylalnirpfiefgfmpkalasgdqtvfywkgnv
    tppkdynkwrdlivavvshfierygieevrtwlfevwnapnlvnfwkdankqeyfklyev
    taravksvdphlqvggpaicggsdewitdflhfcaerrvpvdfvsrhaytskaphkktfe
    yyyqeleppedmleqfktvralirqspfphlplhiteyntsyspinpvhdtalnaayiar
    ilseggdyvdsfsywtfsdvfeemdvpkalfhggfglvalhsipkptfhaftffnalgde
    llyrdgemivtrrkdgsiaavlwnlvmekgegltkevqlvipvsesavfikrqivneqyg
    nawrvwkqmgrprfpsrqavetlrqvaqphvmteqrratdgvihlsivlsknevtlieie
    qvrdetstyvglddgeitsys
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >2bfgH (H:)
    mgvvnvpsngrekfkknwkfcvgtgrlglalqkeyldhlklvqekigfryirghgllsdd
    vgiyreveidgemkpfynftyidrivdsylalnirpfiefgfmpkalasgdqtvfywkgn
    vtppkdynkwrdlivavvshfierygieevrtwlfevwnapnlvnfwkdankqeyfklye
    vtaravksvdphlqvggpaicggsdewitdflhfcaerrvpvdfvsrhaytskaphkktf
    eyyyqeleppedmleqfktvralirqspfphlplhiteyntsyspinpvhdtalnaayia
    rilseggdyvdsfsywtfsdvfeemdvpkalfhggfglvalhsipkptfhaftffnalgd
    ellyrdgemivtrrkdgsiaavlwnlvmekgegltkevqlvipvsesavfikrqivneqy
    gnawrvwkqmgrprfpsrqavetlrqvaqphvmteqrratdgvihlsivlsknevtliei
    eqvrdetstyvglddgeitsyss
    

    Sequence, based on observed residues (ATOM records): (download)
    >2bfgH (H:)
    gvvnvpsngrekfkknwkfcvgtgrlglalqkeyldhlklvqekigfryirghgllsddv
    giyreveidgemkpfynftyidrivdsylalnirpfiefgfmpkalasgdqtvfywkgnv
    tppkdynkwrdlivavvshfierygieevrtwlfevwnapnlvnfwkdankqeyfklyev
    taravksvdphlqvggpaicggsdewitdflhfcaerrvpvdfvsrhaytskaphkktfe
    yyyqeleppedmleqfktvralirqspfphlplhiteyntsyspinpvhdtalnaayiar
    ilseggdyvdsfsywtfsdvfeemdvpkalfhggfglvalhsipkptfhaftffnalgde
    llyrdgemivtrrkdgsiaavlwnlvmekgegltkevqlvipvsesavfikrqivneqyg
    nawrvwkqmgrprfpsrqavetlrqvaqphvmteqrratdgvihlsivlsknevtlieie
    qvrdetstyvglddgeitsys