PDB entry 1u0w

View 1u0w on RCSB PDB site
Description: An Aldol Switch Discovered in Stilbene Synthases Mediates Cyclization Specificity of Type III Polyketide Synthases: 18xCHS+resveratrol Structure
Class: transferase
Keywords: type III polyketide synthase, PKS, condensing enzyme, thiolase fold, alpha-beta-alpha-beta-alpha fold, aldol switch, catalytic triad, engineered resveratrol synthase, RS, STS, CHS, chalcone synthase, stilbene synthase, TRANSFERASE
Deposited on 2004-07-14, released 2004-10-12
The last revision prior to the SCOPe 2.06 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.203
AEROSPACI score: 0.41 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Chalcone synthase 2
    Species: Medicago sativa [TaxId:3879]
    Gene: CHS2
    Database cross-references and differences (RAF-indexed):
    • Uniprot P30074 (Start-392)
      • engineered (99)
      • engineered (101-103)
      • engineered (134)
      • engineered (136-138)
      • engineered (140)
      • engineered (160-163)
      • engineered (165)
      • engineered (271-273)
      • engineered (276)
    Domains in SCOPe 2.06: d1u0wa1, d1u0wa2
  • Chain 'B':
    Compound: Chalcone synthase 2
    Species: Medicago sativa [TaxId:3879]
    Gene: CHS2
    Database cross-references and differences (RAF-indexed):
    • Uniprot P30074 (Start-392)
      • engineered (99)
      • engineered (101-103)
      • engineered (134)
      • engineered (136-138)
      • engineered (140)
      • engineered (160-163)
      • engineered (165)
      • engineered (271-273)
      • engineered (276)
    Domains in SCOPe 2.06: d1u0wb1, d1u0wb2
  • Chain 'C':
    Compound: Chalcone synthase 2
    Species: Medicago sativa [TaxId:3879]
    Gene: CHS2
    Database cross-references and differences (RAF-indexed):
    • Uniprot P30074 (Start-392)
      • engineered (99)
      • engineered (101-103)
      • engineered (134)
      • engineered (136-138)
      • engineered (140)
      • engineered (160-163)
      • engineered (165)
      • engineered (271-273)
      • engineered (276)
    Domains in SCOPe 2.06: d1u0wc1, d1u0wc2
  • Chain 'D':
    Compound: Chalcone synthase 2
    Species: Medicago sativa [TaxId:3879]
    Gene: CHS2
    Database cross-references and differences (RAF-indexed):
    • Uniprot P30074 (Start-392)
      • engineered (99)
      • engineered (101-103)
      • engineered (134)
      • engineered (136-138)
      • engineered (140)
      • engineered (160-163)
      • engineered (165)
      • engineered (271-273)
      • engineered (276)
    Domains in SCOPe 2.06: d1u0wd1, d1u0wd2
  • Heterogens: STL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >1u0wA (A:)
    gshgmvsvseirkaqraegpatilaigtanpancveqstypdfyfkitnsehktelkekf
    qrmcdksmikrrymylteeilkenpnvceymapsldarqamlamevprlgkeaavkaike
    wgqpkskithlivcstttpdlpgadyqltkllglrpyvkrvgvfqhgcfaggtvlrlakd
    laennkgarvlvvcsevtavtfrgpsdthldslvgqalfgdgaaalivgsdpvpeiekpi
    femvwtaqtiapdsegaidghlreagltfhlkgavpdivsknitkalveafeplgisdyn
    sifwiahpggpaildqveqklalkpekmnatrevlseygnmssacvlfildemrkkstqn
    glkttgeglewgvlfgfgpgltietvvlrsvai
    

    Sequence, based on observed residues (ATOM records): (download)
    >1u0wA (A:)
    vsvseirkaqraegpatilaigtanpancveqstypdfyfkitnsehktelkekfqrmcd
    ksmikrrymylteeilkenpnvceymapsldarqamlamevprlgkeaavkaikewgqpk
    skithlivcstttpdlpgadyqltkllglrpyvkrvgvfqhgcfaggtvlrlakdlaenn
    kgarvlvvcsevtavtfrgpsdthldslvgqalfgdgaaalivgsdpvpeiekpifemvw
    taqtiapdsegaidghlreagltfhlkgavpdivsknitkalveafeplgisdynsifwi
    ahpggpaildqveqklalkpekmnatrevlseygnmssacvlfildemrkkstqnglktt
    geglewgvlfgfgpgltietvvlrsvai
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >1u0wB (B:)
    gshgmvsvseirkaqraegpatilaigtanpancveqstypdfyfkitnsehktelkekf
    qrmcdksmikrrymylteeilkenpnvceymapsldarqamlamevprlgkeaavkaike
    wgqpkskithlivcstttpdlpgadyqltkllglrpyvkrvgvfqhgcfaggtvlrlakd
    laennkgarvlvvcsevtavtfrgpsdthldslvgqalfgdgaaalivgsdpvpeiekpi
    femvwtaqtiapdsegaidghlreagltfhlkgavpdivsknitkalveafeplgisdyn
    sifwiahpggpaildqveqklalkpekmnatrevlseygnmssacvlfildemrkkstqn
    glkttgeglewgvlfgfgpgltietvvlrsvai
    

    Sequence, based on observed residues (ATOM records): (download)
    >1u0wB (B:)
    vsvseirkaqraegpatilaigtanpancveqstypdfyfkitnsehktelkekfqrmcd
    ksmikrrymylteeilkenpnvceymapsldarqamlamevprlgkeaavkaikewgqpk
    skithlivcstttpdlpgadyqltkllglrpyvkrvgvfqhgcfaggtvlrlakdlaenn
    kgarvlvvcsevtavtfrgpsdthldslvgqalfgdgaaalivgsdpvpeiekpifemvw
    taqtiapdsegaidghlreagltfhlkgavpdivsknitkalveafeplgisdynsifwi
    ahpggpaildqveqklalkpekmnatrevlseygnmssacvlfildemrkkstqnglktt
    geglewgvlfgfgpgltietvvlrsvai
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >1u0wC (C:)
    gshgmvsvseirkaqraegpatilaigtanpancveqstypdfyfkitnsehktelkekf
    qrmcdksmikrrymylteeilkenpnvceymapsldarqamlamevprlgkeaavkaike
    wgqpkskithlivcstttpdlpgadyqltkllglrpyvkrvgvfqhgcfaggtvlrlakd
    laennkgarvlvvcsevtavtfrgpsdthldslvgqalfgdgaaalivgsdpvpeiekpi
    femvwtaqtiapdsegaidghlreagltfhlkgavpdivsknitkalveafeplgisdyn
    sifwiahpggpaildqveqklalkpekmnatrevlseygnmssacvlfildemrkkstqn
    glkttgeglewgvlfgfgpgltietvvlrsvai
    

    Sequence, based on observed residues (ATOM records): (download)
    >1u0wC (C:)
    vsvseirkaqraegpatilaigtanpancveqstypdfyfkitnsehktelkekfqrmcd
    ksmikrrymylteeilkenpnvceymapsldarqamlamevprlgkeaavkaikewgqpk
    skithlivcstttpdlpgadyqltkllglrpyvkrvgvfqhgcfaggtvlrlakdlaenn
    kgarvlvvcsevtavtfrgpsdthldslvgqalfgdgaaalivgsdpvpeiekpifemvw
    taqtiapdsegaidghlreagltfhlkgavpdivsknitkalveafeplgisdynsifwi
    ahpggpaildqveqklalkpekmnatrevlseygnmssacvlfildemrkkstqnglktt
    geglewgvlfgfgpgltietvvlrsvai
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >1u0wD (D:)
    gshgmvsvseirkaqraegpatilaigtanpancveqstypdfyfkitnsehktelkekf
    qrmcdksmikrrymylteeilkenpnvceymapsldarqamlamevprlgkeaavkaike
    wgqpkskithlivcstttpdlpgadyqltkllglrpyvkrvgvfqhgcfaggtvlrlakd
    laennkgarvlvvcsevtavtfrgpsdthldslvgqalfgdgaaalivgsdpvpeiekpi
    femvwtaqtiapdsegaidghlreagltfhlkgavpdivsknitkalveafeplgisdyn
    sifwiahpggpaildqveqklalkpekmnatrevlseygnmssacvlfildemrkkstqn
    glkttgeglewgvlfgfgpgltietvvlrsvai
    

    Sequence, based on observed residues (ATOM records): (download)
    >1u0wD (D:)
    vsvseirkaqraegpatilaigtanpancveqstypdfyfkitnsehktelkekfqrmcd
    ksmikrrymylteeilkenpnvceymapsldarqamlamevprlgkeaavkaikewgqpk
    skithlivcstttpdlpgadyqltkllglrpyvkrvgvfqhgcfaggtvlrlakdlaenn
    kgarvlvvcsevtavtfrgpsdthldslvgqalfgdgaaalivgsdpvpeiekpifemvw
    taqtiapdsegaidghlreagltfhlkgavpdivsknitkalveafeplgisdynsifwi
    ahpggpaildqveqklalkpekmnatrevlseygnmssacvlfildemrkkstqnglktt
    geglewgvlfgfgpgltietvvlrsvai