PDB entry 5urr

View 5urr 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 P176
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 2017-02-12, released 2017-03-01
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-09-20, with a file datestamp of 2017-09-15.
Experiment type: XRAY
Resolution: 2.45 Å
R-factor: N/A
AEROSPACI score: 0.22 (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 (22-23)
      • linker (115-116)
    • Uniprot Q81W29 (117-End)
    Domains in SCOPe 2.07: d5urra1, d5urra2
  • 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-End)
    Domains in SCOPe 2.07: d5urrb1, d5urrb2
  • 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 (20-23)
      • linker (115-116)
    • Uniprot Q81W29 (117-End)
    Domains in SCOPe 2.07: d5urrc1, d5urrc2
  • 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 (21-23)
      • linker (115-116)
    • Uniprot Q81W29 (117-End)
    Domains in SCOPe 2.07: d5urrd1, d5urrd2
  • 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 (20-23)
      • linker (115-116)
    • Uniprot Q81W29 (117-End)
    Domains in SCOPe 2.07: d5urre1, d5urre2
  • 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 (19-23)
      • linker (115-116)
    • Uniprot Q81W29 (117-End)
    Domains in SCOPe 2.07: d5urrf1, d5urrf2
  • 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 (22-23)
      • linker (115-116)
    • Uniprot Q81W29 (117-End)
    Domains in SCOPe 2.07: d5urrg1, d5urrg2
  • 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 (22-23)
      • linker (115-116)
    • Uniprot Q81W29 (117-End)
    Domains in SCOPe 2.07: d5urrh1, d5urrh2
  • Heterogens: IMP, 8L7, K, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >5urrA (A:)
    namweskfvkegltfddvllvpaksdvlprevsvktvlseslqlniplisagmdtvtead
    maiamarqgglgiihknmsieqqaeqvdkvkrsggllvgaavgvtadamtridalvkasv
    daivldtahghsqgvidkvkevrakypslniiagnvataeatkalieaganvvkvgigpg
    sicttrvvagvgvpqltavydcatearkhgipviadggikysgdmvkalaagahvvmlgs
    mfagvaespgeteiyqgrqfkvyrgmgsvgamekkklvpegiegrvpykgpladtvhqlv
    gglragmgycgaqdleflrenaqfirmsgaglleshphhvqitkeapnys
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >5urrB (B:)
    namweskfvkegltfddvllvpaksdvlprevsvktvlseslqlniplisagmdtvtead
    maiamarqgglgiihknmsieqqaeqvdkvkrsggllvgaavgvtadamtridalvkasv
    daivldtahghsqgvidkvkevrakypslniiagnvataeatkalieaganvvkvgigpg
    sicttrvvagvgvpqltavydcatearkhgipviadggikysgdmvkalaagahvvmlgs
    mfagvaespgeteiyqgrqfkvyrgmgsvgamekkklvpegiegrvpykgpladtvhqlv
    gglragmgycgaqdleflrenaqfirmsgaglleshphhvqitkeapnys
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >5urrC (C:)
    qsnamweskfvkegltfddvllvpaksdvlprevsvktvlseslqlniplisagmdtvte
    admaiamarqgglgiihknmsieqqaeqvdkvkrsggllvgaavgvtadamtridalvka
    svdaivldtahghsqgvidkvkevrakypslniiagnvataeatkalieaganvvkvgig
    pgsicttrvvagvgvpqltavydcatearkhgipviadggikysgdmvkalaagahvvml
    gsmfagvaespgeteiyqgrqfkvyrgmgsvgamekgslvpegiegrvpykgpladtvhq
    lvgglragmgycgaqdleflrenaqfirmsgaglleshphhvqitkeapnys
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >5urrD (D:)
    snamweskfvkegltfddvllvpaksdvlprevsvktvlseslqlniplisagmdtvtea
    dmaiamarqgglgiihknmsieqqaeqvdkvkrsggllvgaavgvtadamtridalvkas
    vdaivldtahghsqgvidkvkevrakypslniiagnvataeatkalieaganvvkvgigp
    gsicttrvvagvgvpqltavydcatearkhgipviadggikysgdmvkalaagahvvmlg
    smfagvaespgeteiyqgrqfkvyrgmgsvgamekgklvpegiegrvpykgpladtvhql
    vgglragmgycgaqdleflrenaqfirmsgaglleshphhvqitkeapnys
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >5urrE (E:)
    qsnamweskfvkegltfddvllvpaksdvlprevsvktvlseslqlniplisagmdtvte
    admaiamarqgglgiihknmsieqqaeqvdkvkrsggllvgaavgvtadamtridalvka
    svdaivldtahghsqgvidkvkevrakypslniiagnvataeatkalieaganvvkvgig
    pgsicttrvvagvgvpqltavydcatearkhgipviadggikysgdmvkalaagahvvml
    gsmfagvaespgeteiyqgrqfkvyrgmgsvgameklvpegiegrvpykgpladtvhqlv
    gglragmgycgaqdleflrenaqfirmsgaglleshphhvqitkeapnys
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >5urrF (F:)
    fqsnamweskfvkegltfddvllvpaksdvlprevsvktvlseslqlniplisagmdtvt
    eadmaiamarqgglgiihknmsieqqaeqvdkvkrsggllvgaavgvtadamtridalvk
    asvdaivldtahghsqgvidkvkevrakypslniiagnvataeatkalieaganvvkvgi
    gpgsicttrvvagvgvpqltavydcatearkhgipviadggikysgdmvkalaagahvvm
    lgsmfagvaespgeteiyqgrqfkvyrgmgsvgamekgskklvpegiegrvpykgpladt
    vhqlvgglragmgycgaqdleflrenaqfirmsgaglleshphhvqitkeapnys
    

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

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

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

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