PDB entry 5uuw

View 5uuw on RCSB PDB site
Description: Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P221
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: IMPDH, TIM barrel, delta CBS, Structural Genomics, Center for Structural Genomics of Infectious Diseases, CSGID, OXIDOREDUCTASE, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2017-02-17, released 2017-03-08
The last revision prior to the SCOPe 2.06 freeze date was dated 2017-03-08, with a file datestamp of 2017-03-03.
Experiment type: XRAY
Resolution: 2.34 Å
R-factor: N/A
AEROSPACI score: 0.24 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: inosine-5'-monophosphate dehydrogenase
    Species: Bacillus anthracis [TaxId:1392]
    Gene: guaB, GBAA_0008, A8C77_00065, ABW01_29210
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81W29 (24-114)
      • expression tag (21-23)
      • linker (115-116)
    • Uniprot Q81W29 (117-End)
    Domains in SCOPe 2.06: d5uuwa1, d5uuwa2
  • Chain 'B':
    Compound: inosine-5'-monophosphate dehydrogenase
    Species: Bacillus anthracis [TaxId:1392]
    Gene: guaB, GBAA_0008, A8C77_00065, ABW01_29210
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81W29 (24-114)
      • expression tag (22-23)
      • linker (115-116)
    • Uniprot Q81W29 (117-383)
    Domains in SCOPe 2.06: d5uuwb1, d5uuwb2
  • Chain 'C':
    Compound: inosine-5'-monophosphate dehydrogenase
    Species: Bacillus anthracis [TaxId:1392]
    Gene: guaB, GBAA_0008, A8C77_00065, ABW01_29210
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81W29 (24-114)
      • expression tag (21-23)
      • linker (115-116)
    • Uniprot Q81W29 (117-End)
    Domains in SCOPe 2.06: d5uuwc1, d5uuwc2
  • Chain 'D':
    Compound: inosine-5'-monophosphate dehydrogenase
    Species: Bacillus anthracis [TaxId:1392]
    Gene: guaB, GBAA_0008, A8C77_00065, ABW01_29210
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81W29 (24-114)
      • expression tag (22-23)
      • linker (115-116)
    • Uniprot Q81W29 (117-End)
    Domains in SCOPe 2.06: d5uuwd1, d5uuwd2
  • Chain 'E':
    Compound: inosine-5'-monophosphate dehydrogenase
    Species: Bacillus anthracis [TaxId:1392]
    Gene: guaB, GBAA_0008, A8C77_00065, ABW01_29210
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81W29 (24-114)
      • expression tag (22-23)
      • linker (115-116)
    • Uniprot Q81W29 (117-End)
    Domains in SCOPe 2.06: d5uuwe1, d5uuwe2
  • Chain 'F':
    Compound: inosine-5'-monophosphate dehydrogenase
    Species: Bacillus anthracis [TaxId:1392]
    Gene: guaB, GBAA_0008, A8C77_00065, ABW01_29210
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81W29 (24-114)
      • expression tag (22-23)
      • linker (115-116)
    • Uniprot Q81W29 (117-End)
    Domains in SCOPe 2.06: d5uuwf1, d5uuwf2
  • Chain 'G':
    Compound: inosine-5'-monophosphate dehydrogenase
    Species: Bacillus anthracis [TaxId:1392]
    Gene: guaB, GBAA_0008, A8C77_00065, ABW01_29210
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81W29 (24-114)
      • expression tag (20-23)
      • linker (115-116)
    • Uniprot Q81W29 (117-383)
    Domains in SCOPe 2.06: d5uuwg1, d5uuwg2
  • Chain 'H':
    Compound: inosine-5'-monophosphate dehydrogenase
    Species: Bacillus anthracis [TaxId:1392]
    Gene: guaB, GBAA_0008, A8C77_00065, ABW01_29210
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81W29 (24-114)
      • expression tag (21-23)
      • linker (115-116)
    • Uniprot Q81W29 (117-End)
    Domains in SCOPe 2.06: d5uuwh1, d5uuwh2
  • Heterogens: IMP, 8N1, GOL, K, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5uuwA (A:)
    mhhhhhhssgvdlgtenlyfqsnamweskfvkegltfddvllvpaksdvlprevsvktvl
    seslqlniplisagmdtvteadmaiamarqgglgiihknmsieqqaeqvdkvkrsggllv
    gaavgvtadamtridalvkasvdaivldtahghsqgvidkvkevrakypslniiagnvat
    aeatkalieaganvvkvgigpgsicttrvvagvgvpqltavydcatearkhgipviadgg
    ikysgdmvkalaagahvvmlgsmfagvaespgeteiyqgrqfkvyrgmgsvgamekgskd
    ryfqegnkklvpegiegrvpykgpladtvhqlvgglragmgycgaqdleflrenaqfirm
    sgaglleshphhvqitkeapnysl
    

    Sequence, based on observed residues (ATOM records): (download)
    >5uuwA (A:)
    snamweskfvkegltfddvllvpaksdvlprevsvktvlseslqlniplisagmdtvtea
    dmaiamarqgglgiihknmsieqqaeqvdkvkrsggllvgaavgvtadamtridalvkas
    vdaivldtahghsqgvidkvkevrakypslniiagnvataeatkalieaganvvkvgigp
    gsicttrvvagvgvpqltavydcatearkhgipviadggikysgdmvkalaagahvvmlg
    smfagvaespgeteiyqgrqfkvyrgmgsvgameklvpegiegrvpykgpladtvhqlvg
    glragmgycgaqdleflrenaqfirmsgaglleshphhvqitkeapnys
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5uuwB (B:)
    mhhhhhhssgvdlgtenlyfqsnamweskfvkegltfddvllvpaksdvlprevsvktvl
    seslqlniplisagmdtvteadmaiamarqgglgiihknmsieqqaeqvdkvkrsggllv
    gaavgvtadamtridalvkasvdaivldtahghsqgvidkvkevrakypslniiagnvat
    aeatkalieaganvvkvgigpgsicttrvvagvgvpqltavydcatearkhgipviadgg
    ikysgdmvkalaagahvvmlgsmfagvaespgeteiyqgrqfkvyrgmgsvgamekgskd
    ryfqegnkklvpegiegrvpykgpladtvhqlvgglragmgycgaqdleflrenaqfirm
    sgaglleshphhvqitkeapnysl
    

    Sequence, based on observed residues (ATOM records): (download)
    >5uuwB (B:)
    namweskfvkegltfddvllvpaksdvlprevsvktvlseslqlniplisagmdtvtead
    maiamarqgglgiihknmsieqqaeqvdkvkrsggllvgaavgvtadamtridalvkasv
    daivldtahghsqgvidkvkevrakypslniiagnvataeatkalieaganvvkvgigpg
    sicttrvvagvgvpqltavydcatearkhgipviadggikysgdmvkalaagahvvmlgs
    mfagvaespgeteiyqgrqfkvyrgmgsvgameklvpegiegrvpykgpladtvhqlvgg
    lragmgycgaqdleflrenaqfirmsgaglleshphhvqitkeapnysl
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5uuwC (C:)
    mhhhhhhssgvdlgtenlyfqsnamweskfvkegltfddvllvpaksdvlprevsvktvl
    seslqlniplisagmdtvteadmaiamarqgglgiihknmsieqqaeqvdkvkrsggllv
    gaavgvtadamtridalvkasvdaivldtahghsqgvidkvkevrakypslniiagnvat
    aeatkalieaganvvkvgigpgsicttrvvagvgvpqltavydcatearkhgipviadgg
    ikysgdmvkalaagahvvmlgsmfagvaespgeteiyqgrqfkvyrgmgsvgamekgskd
    ryfqegnkklvpegiegrvpykgpladtvhqlvgglragmgycgaqdleflrenaqfirm
    sgaglleshphhvqitkeapnysl
    

    Sequence, based on observed residues (ATOM records): (download)
    >5uuwC (C:)
    snamweskfvkegltfddvllvpaksdvlprevsvktvlseslqlniplisagmdtvtea
    dmaiamarqgglgiihknmsieqqaeqvdkvkrsggllvgaavgvtadamtridalvkas
    vdaivldtahghsqgvidkvkevrakypslniiagnvataeatkalieaganvvkvgigp
    gsicttrvvagvgvpqltavydcatearkhgipviadggikysgdmvkalaagahvvmlg
    smfagvaespgeteiyqgrqfkvyrgmgsvgamekklvpegiegrvpykgpladtvhqlv
    gglragmgycgaqdleflrenaqfirmsgaglleshphhvqitkeapnys
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5uuwD (D:)
    mhhhhhhssgvdlgtenlyfqsnamweskfvkegltfddvllvpaksdvlprevsvktvl
    seslqlniplisagmdtvteadmaiamarqgglgiihknmsieqqaeqvdkvkrsggllv
    gaavgvtadamtridalvkasvdaivldtahghsqgvidkvkevrakypslniiagnvat
    aeatkalieaganvvkvgigpgsicttrvvagvgvpqltavydcatearkhgipviadgg
    ikysgdmvkalaagahvvmlgsmfagvaespgeteiyqgrqfkvyrgmgsvgamekgskd
    ryfqegnkklvpegiegrvpykgpladtvhqlvgglragmgycgaqdleflrenaqfirm
    sgaglleshphhvqitkeapnysl
    

    Sequence, based on observed residues (ATOM records): (download)
    >5uuwD (D:)
    namweskfvkegltfddvllvpaksdvlprevsvktvlseslqlniplisagmdtvtead
    maiamarqgglgiihknmsieqqaeqvdkvkrsggllvgaavgvtadamtridalvkasv
    daivldtahghsqgvidkvkevrakypslniiagnvataeatkalieaganvvkvgigpg
    sicttrvvagvgvpqltavydcatearkhgipviadggikysgdmvkalaagahvvmlgs
    mfagvaespgeteiyqgrqfkvyrgmgsvgamekklvpegiegrvpykgpladtvhqlvg
    glragmgycgaqdleflrenaqfirmsgaglleshphhvqitkeapnys
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >5uuwE (E:)
    mhhhhhhssgvdlgtenlyfqsnamweskfvkegltfddvllvpaksdvlprevsvktvl
    seslqlniplisagmdtvteadmaiamarqgglgiihknmsieqqaeqvdkvkrsggllv
    gaavgvtadamtridalvkasvdaivldtahghsqgvidkvkevrakypslniiagnvat
    aeatkalieaganvvkvgigpgsicttrvvagvgvpqltavydcatearkhgipviadgg
    ikysgdmvkalaagahvvmlgsmfagvaespgeteiyqgrqfkvyrgmgsvgamekgskd
    ryfqegnkklvpegiegrvpykgpladtvhqlvgglragmgycgaqdleflrenaqfirm
    sgaglleshphhvqitkeapnysl
    

    Sequence, based on observed residues (ATOM records): (download)
    >5uuwE (E:)
    namweskfvkegltfddvllvpaksdvlprevsvktvlseslqlniplisagmdtvtead
    maiamarqgglgiihknmsieqqaeqvdkvkrsggllvgaavgvtadamtridalvkasv
    daivldtahghsqgvidkvkevrakypslniiagnvataeatkalieaganvvkvgigpg
    sicttrvvagvgvpqltavydcatearkhgipviadggikysgdmvkalaagahvvmlgs
    mfagvaespgeteiyqgrqfkvyrgmgsvgamekvpegiegrvpykgpladtvhqlvggl
    ragmgycgaqdleflrenaqfirmsgaglleshphhvqitkeapnys
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >5uuwF (F:)
    mhhhhhhssgvdlgtenlyfqsnamweskfvkegltfddvllvpaksdvlprevsvktvl
    seslqlniplisagmdtvteadmaiamarqgglgiihknmsieqqaeqvdkvkrsggllv
    gaavgvtadamtridalvkasvdaivldtahghsqgvidkvkevrakypslniiagnvat
    aeatkalieaganvvkvgigpgsicttrvvagvgvpqltavydcatearkhgipviadgg
    ikysgdmvkalaagahvvmlgsmfagvaespgeteiyqgrqfkvyrgmgsvgamekgskd
    ryfqegnkklvpegiegrvpykgpladtvhqlvgglragmgycgaqdleflrenaqfirm
    sgaglleshphhvqitkeapnysl
    

    Sequence, based on observed residues (ATOM records): (download)
    >5uuwF (F:)
    namweskfvkegltfddvllvpaksdvlprevsvktvlseslqlniplisagmdtvtead
    maiamarqgglgiihknmsieqqaeqvdkvkrsggllvgaavgvtadamtridalvkasv
    daivldtahghsqgvidkvkevrakypslniiagnvataeatkalieaganvvkvgigpg
    sicttrvvagvgvpqltavydcatearkhgipviadggikysgdmvkalaagahvvmlgs
    mfagvaespgeteiyqgrqfkvyrgmgsvgameklvpegiegrvpykgpladtvhqlvgg
    lragmgycgaqdleflrenaqfirmsgaglleshphhvqitkeapnys
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >5uuwG (G:)
    mhhhhhhssgvdlgtenlyfqsnamweskfvkegltfddvllvpaksdvlprevsvktvl
    seslqlniplisagmdtvteadmaiamarqgglgiihknmsieqqaeqvdkvkrsggllv
    gaavgvtadamtridalvkasvdaivldtahghsqgvidkvkevrakypslniiagnvat
    aeatkalieaganvvkvgigpgsicttrvvagvgvpqltavydcatearkhgipviadgg
    ikysgdmvkalaagahvvmlgsmfagvaespgeteiyqgrqfkvyrgmgsvgamekgskd
    ryfqegnkklvpegiegrvpykgpladtvhqlvgglragmgycgaqdleflrenaqfirm
    sgaglleshphhvqitkeapnysl
    

    Sequence, based on observed residues (ATOM records): (download)
    >5uuwG (G:)
    qsnamweskfvkegltfddvllvpaksdvlprevsvktvlseslqlniplisagmdtvte
    admaiamarqgglgiihknmsieqqaeqvdkvkrsggllvgaavgvtadamtridalvka
    svdaivldtahghsqgvidkvkevrakypslniiagnvataeatkalieaganvvkvgig
    pgsicttrvvagvgvpqltavydcatearkhgipviadggikysgdmvkalaagahvvml
    gsmfagvaespgeteiyqgrqfkvyrgmgsvgameklvpegiegrvpykgpladtvhqlv
    gglragmgycgaqdleflrenaqfirmsgaglleshphhvqitkeapnysl
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >5uuwH (H:)
    mhhhhhhssgvdlgtenlyfqsnamweskfvkegltfddvllvpaksdvlprevsvktvl
    seslqlniplisagmdtvteadmaiamarqgglgiihknmsieqqaeqvdkvkrsggllv
    gaavgvtadamtridalvkasvdaivldtahghsqgvidkvkevrakypslniiagnvat
    aeatkalieaganvvkvgigpgsicttrvvagvgvpqltavydcatearkhgipviadgg
    ikysgdmvkalaagahvvmlgsmfagvaespgeteiyqgrqfkvyrgmgsvgamekgskd
    ryfqegnkklvpegiegrvpykgpladtvhqlvgglragmgycgaqdleflrenaqfirm
    sgaglleshphhvqitkeapnysl
    

    Sequence, based on observed residues (ATOM records): (download)
    >5uuwH (H:)
    snamweskfvkegltfddvllvpaksdvlprevsvktvlseslqlniplisagmdtvtea
    dmaiamarqgglgiihknmsieqqaeqvdkvkrsggllvgaavgvtadamtridalvkas
    vdaivldtahghsqgvidkvkevrakypslniiagnvataeatkalieaganvvkvgigp
    gsicttrvvagvgvpqltavydcatearkhgipviadggikysgdmvkalaagahvvmlg
    smfagvaespgeteiyqgrqfkvyrgmgsvgameklvpegiegrvpykgpladtvhqlvg
    glragmgycgaqdleflrenaqfirmsgaglleshphhvqitkeapnys