PDB entry 4mxs

View 4mxs on RCSB PDB site
Description: Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor D67
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: Structural Genomics, NIAID, National Institute of Allergy and Infectious Diseases, Center for Structural Genomics of Infectious Diseases, CSGID, TIM-barrel, alpha-beta-structure, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2013-09-26, released 2014-06-11
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-07-23, with a file datestamp of 2014-07-18.
Experiment type: XRAY
Resolution: 2.8 Å
R-factor: 0.187
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:198094]
    Gene: BAS0011, BA_0008, GBAA_0008, guaB
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81W29 (24-114)
      • expression tag (19-23)
      • linker (115)
    • Uniprot Q81W29 (117-End)
      • linker (116)
    Domains in SCOPe 2.07: d4mxsa1, d4mxsa2
  • Chain 'B':
    Compound: inosine-5'-monophosphate dehydrogenase
    Species: Bacillus anthracis [TaxId:198094]
    Gene: BAS0011, BA_0008, GBAA_0008, guaB
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81W29 (24-114)
      • expression tag (21-23)
      • linker (115)
    • Uniprot Q81W29 (117-End)
      • linker (116)
    Domains in SCOPe 2.07: d4mxsb1, d4mxsb2
  • Chain 'C':
    Compound: inosine-5'-monophosphate dehydrogenase
    Species: Bacillus anthracis [TaxId:198094]
    Gene: BAS0011, BA_0008, GBAA_0008, guaB
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81W29 (24-114)
      • expression tag (21-23)
      • linker (115)
    • Uniprot Q81W29 (117-End)
      • linker (116)
    Domains in SCOPe 2.07: d4mxsc1, d4mxsc2
  • Chain 'D':
    Compound: inosine-5'-monophosphate dehydrogenase
    Species: Bacillus anthracis [TaxId:198094]
    Gene: BAS0011, BA_0008, GBAA_0008, guaB
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81W29 (24-114)
      • expression tag (22-23)
      • linker (115)
    • Uniprot Q81W29 (117-End)
      • linker (116)
    Domains in SCOPe 2.07: d4mxsd1, d4mxsd2
  • Heterogens: IMP, 2EO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4mxsA (A:)
    mhhhhhhssgvdlgtenlyfqsnamweskfvkegltfddvllvpaksdvlprevsvktvl
    seslqlniplisagmdtvteadmaiamarqgglgiihknmsieqqaeqvdkvkrsggllv
    gaavgvtadamtridalvkasvdaivldtahghsqgvidkvkevrakypslniiagnvat
    aeatkalieaganvvkvgigpgsicttrvvagvgvpqltavydcatearkhgipviadgg
    ikysgdmvkalaagahvvmlgsmfagvaespgeteiyqgrqfkvyrgmgsvgamekgskd
    ryfqegnkklvpegiegrvpykgpladtvhqlvgglragmgycgaqdleflrenaqfirm
    sgaglleshphhvqitkeapnysl
    

    Sequence, based on observed residues (ATOM records): (download)
    >4mxsA (A:)
    fqsnamweskfvkegltfddvllvpaksdvlprevsvktvlseslqlniplisagmdtvt
    eadmaiamarqgglgiihknmsieqqaeqvdkvkrsggllvgaavgvtadamtridalvk
    asvdaivldtahghsqgvidkvkevrakypslniiagnvataeatkalieaganvvkvgi
    gpgsicttrvvagvgvpqltavydcatearkhgipviadggikysgdmvkalaagahvvm
    lgsmfagvaespgeteiyqgrqfkvyrgmgsvgamekvpegiegrvpykgpladtvhqlv
    gglragmgycgaqdleflrenaqfirmsgagllvqit
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4mxsB (B:)
    mhhhhhhssgvdlgtenlyfqsnamweskfvkegltfddvllvpaksdvlprevsvktvl
    seslqlniplisagmdtvteadmaiamarqgglgiihknmsieqqaeqvdkvkrsggllv
    gaavgvtadamtridalvkasvdaivldtahghsqgvidkvkevrakypslniiagnvat
    aeatkalieaganvvkvgigpgsicttrvvagvgvpqltavydcatearkhgipviadgg
    ikysgdmvkalaagahvvmlgsmfagvaespgeteiyqgrqfkvyrgmgsvgamekgskd
    ryfqegnkklvpegiegrvpykgpladtvhqlvgglragmgycgaqdleflrenaqfirm
    sgaglleshphhvqitkeapnysl
    

    Sequence, based on observed residues (ATOM records): (download)
    >4mxsB (B:)
    snamweskfvkegltfddvllvpaksdvlprevsvktvlseslqlniplisagmdtvtea
    dmaiamarqgglgiihknmsieqqaeqvdkvkrsggllvgaavgvtadamtridalvkas
    vdaivldtahghsqgvidkvkevrakypslniiagnvataeatkalieaganvvkvgigp
    gsicttrvvagvgvpqltavydcatearkhgipviadggikysgdmvkalaagahvvmlg
    smfagvaespgeteiyqgrqfkvyrgmgsvgamekklvpegiegrvpykgpladtvhqlv
    gglragmgycgaqdleflrenaqfirmsgagllhvqitkeapnys
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4mxsC (C:)
    mhhhhhhssgvdlgtenlyfqsnamweskfvkegltfddvllvpaksdvlprevsvktvl
    seslqlniplisagmdtvteadmaiamarqgglgiihknmsieqqaeqvdkvkrsggllv
    gaavgvtadamtridalvkasvdaivldtahghsqgvidkvkevrakypslniiagnvat
    aeatkalieaganvvkvgigpgsicttrvvagvgvpqltavydcatearkhgipviadgg
    ikysgdmvkalaagahvvmlgsmfagvaespgeteiyqgrqfkvyrgmgsvgamekgskd
    ryfqegnkklvpegiegrvpykgpladtvhqlvgglragmgycgaqdleflrenaqfirm
    sgaglleshphhvqitkeapnysl
    

    Sequence, based on observed residues (ATOM records): (download)
    >4mxsC (C:)
    snamweskfvkegltfddvllvpaksdvlprevsvktvlseslqlniplisagmdtvtea
    dmaiamarqgglgiihknmsieqqaeqvdkvkrsggllvgaavgvtadamtridalvkas
    vdaivldtahghsqgvidkvkevrakypslniiagnvataeatkalieaganvvkvgigp
    gsicttrvvagvgvpqltavydcatearkhgipviadggikysgdmvkalaagahvvmlg
    smfagvaespgeteiyqgrqfkvyrgmgsvgamvpegiegrvpykgpladtvhqlvgglr
    agmgycgaqdleflrenaqfirmsgagllvqi
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4mxsD (D:)
    mhhhhhhssgvdlgtenlyfqsnamweskfvkegltfddvllvpaksdvlprevsvktvl
    seslqlniplisagmdtvteadmaiamarqgglgiihknmsieqqaeqvdkvkrsggllv
    gaavgvtadamtridalvkasvdaivldtahghsqgvidkvkevrakypslniiagnvat
    aeatkalieaganvvkvgigpgsicttrvvagvgvpqltavydcatearkhgipviadgg
    ikysgdmvkalaagahvvmlgsmfagvaespgeteiyqgrqfkvyrgmgsvgamekgskd
    ryfqegnkklvpegiegrvpykgpladtvhqlvgglragmgycgaqdleflrenaqfirm
    sgaglleshphhvqitkeapnysl
    

    Sequence, based on observed residues (ATOM records): (download)
    >4mxsD (D:)
    namweskfvkegltfddvllvpaksdvlprevsvktvlseslqlniplisagmdtvtead
    maiamarqgglgiihknmsieqqaeqvdkvkrsggllvgaavgvtadamtridalvkasv
    daivldtahghsqgvidkvkevrakypslniiagnvataeatkalieaganvvkvgigpg
    sicttrvvagvgvpqltavydcatearkhgipviadggikysgdmvkalaagahvvmlgs
    mfagvaespgeteiyqgrqfkvyrgmgsvgamelvpegiegrvpykgpladtvhqlvggl
    ragmgycgaqdleflrenaqfirmsgagllesvqit