PDB entry 5urq

View 5urq on RCSB PDB site
Description: Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with 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 2.06 freeze date was dated 2017-03-01, with a file datestamp of 2017-02-24.
Experiment type: XRAY
Resolution: 2.7 Å
R-factor: N/A
AEROSPACI score: 0.17 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: inosine-5'-monophosphate dehydrogenase
    Species: Campylobacter jejuni subsp. jejuni CG8486 [TaxId:398000]
    Gene: guaB, Cj8486_1016
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d5urqa1, d5urqa2
  • Chain 'B':
    Compound: inosine-5'-monophosphate dehydrogenase
    Species: Campylobacter jejuni subsp. jejuni CG8486 [TaxId:398000]
    Gene: guaB, Cj8486_1016
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d5urqb1, d5urqb2
  • Chain 'C':
    Compound: inosine-5'-monophosphate dehydrogenase
    Species: Campylobacter jejuni subsp. jejuni CG8486 [TaxId:398000]
    Gene: guaB, Cj8486_1016
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d5urqc1, d5urqc2
  • Chain 'D':
    Compound: inosine-5'-monophosphate dehydrogenase
    Species: Campylobacter jejuni subsp. jejuni CG8486 [TaxId:398000]
    Gene: guaB, Cj8486_1016
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d5urqd1, d5urqd2
  • Chain 'E':
    Compound: inosine-5'-monophosphate dehydrogenase
    Species: Campylobacter jejuni subsp. jejuni CG8486 [TaxId:398000]
    Gene: guaB, Cj8486_1016
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d5urqe1, d5urqe2
  • Chain 'F':
    Compound: inosine-5'-monophosphate dehydrogenase
    Species: Campylobacter jejuni subsp. jejuni CG8486 [TaxId:398000]
    Gene: guaB, Cj8486_1016
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d5urqf1, d5urqf2
  • Chain 'G':
    Compound: inosine-5'-monophosphate dehydrogenase
    Species: Campylobacter jejuni subsp. jejuni CG8486 [TaxId:398000]
    Gene: guaB, Cj8486_1016
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d5urqg1, d5urqg2
  • Chain 'H':
    Compound: inosine-5'-monophosphate dehydrogenase
    Species: Campylobacter jejuni subsp. jejuni CG8486 [TaxId:398000]
    Gene: guaB, Cj8486_1016
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d5urqh1, d5urqh2
  • Heterogens: IMP, 8L7, K, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5urqA (A:)
    mhhhhhhssgvdlgtenlyfqsnamkivkraltfedvllrpgysevlpkevkihtkltkn
    itlnmplisaamdtvtehraaimmarlgglgvihknmdiasqvrevkrvkksesggikdl
    kkrkeypdankdnfgrlrvgaaigvgqmdrvdalveagvdvvvldsahghskgiidtvka
    ikakypnldliagniataaaakalceagvdavkvgigpgsicttrivsgvgvpqisaide
    cveeankfgvpviadggikysgdiakalavgassvmigsllagtdespgelftyqgrqyk
    syrgmgslgamqkgssdryfqqgtaqdklvpegiegrvpyvgsirsvvhqllgglrssmg
    yvgakdiedfqkraefveittaglkeshvhdvtitheapnykvnhq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5urqA (A:)
    amkivkraltfedvllrpgysevlpkevkihtkltknitlnmplisaamdtvtehraaim
    marlgglgvihknmdiasqvrevkrvkkseskeypdankdnfgrlrvgaaigvgqmdrvd
    alveagvdvvvldsahghskgiidtvkaikakypnldliagniataaaakalceagvdav
    kvgigpgsicttrivsgvgvpqisaidecveeankfgvpviadggikysgdiakalavga
    ssvmigsllagtdespgelftyqgrqyksyrgmgslgamqlvpegiegrvpyvgsirsvv
    hqllgglrssmgyvgakdiedfqkraefveittaglkeshvhdvtitheapnykv
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5urqB (B:)
    mhhhhhhssgvdlgtenlyfqsnamkivkraltfedvllrpgysevlpkevkihtkltkn
    itlnmplisaamdtvtehraaimmarlgglgvihknmdiasqvrevkrvkksesggikdl
    kkrkeypdankdnfgrlrvgaaigvgqmdrvdalveagvdvvvldsahghskgiidtvka
    ikakypnldliagniataaaakalceagvdavkvgigpgsicttrivsgvgvpqisaide
    cveeankfgvpviadggikysgdiakalavgassvmigsllagtdespgelftyqgrqyk
    syrgmgslgamqkgssdryfqqgtaqdklvpegiegrvpyvgsirsvvhqllgglrssmg
    yvgakdiedfqkraefveittaglkeshvhdvtitheapnykvnhq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5urqB (B:)
    namkivkraltfedvllrpgysevlpkevkihtkltknitlnmplisaamdtvtehraai
    mmarlgglgvihknmdiasqvrevkrvkksekeypdankdnfgrlrvgaaigvgqmdrvd
    alveagvdvvvldsahghskgiidtvkaikakypnldliagniataaaakalceagvdav
    kvgigpgsicttrivsgvgvpqisaidecveeankfgvpviadggikysgdiakalavga
    ssvmigsllagtdespgelftyqgrqyksyrgmgslgamqkklvpegiegrvpyvgsirs
    vvhqllgglrssmgyvgakdiedfqkraefveittaglkeshvhdvtitheapnyk
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5urqC (C:)
    mhhhhhhssgvdlgtenlyfqsnamkivkraltfedvllrpgysevlpkevkihtkltkn
    itlnmplisaamdtvtehraaimmarlgglgvihknmdiasqvrevkrvkksesggikdl
    kkrkeypdankdnfgrlrvgaaigvgqmdrvdalveagvdvvvldsahghskgiidtvka
    ikakypnldliagniataaaakalceagvdavkvgigpgsicttrivsgvgvpqisaide
    cveeankfgvpviadggikysgdiakalavgassvmigsllagtdespgelftyqgrqyk
    syrgmgslgamqkgssdryfqqgtaqdklvpegiegrvpyvgsirsvvhqllgglrssmg
    yvgakdiedfqkraefveittaglkeshvhdvtitheapnykvnhq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5urqC (C:)
    amkivkraltfedvllrpgysevlpkevkihtkltknitlnmplisaamdtvtehraaim
    marlgglgvihknmdiasqvrevkrvkkserkeypdankdnfgrlrvgaaigvgqmdrvd
    alveagvdvvvldsahghskgiidtvkaikakypnldliagniataaaakalceagvdav
    kvgigpgsicttrivsgvgvpqisaidecveeankfgvpviadggikysgdiakalavga
    ssvmigsllagtdespgelftyqgrqyksyrgmgslgamqklvpegiegrvpyvgsirsv
    vhqllgglrssmgyvgakdiedfqkraefveittaglkeshvhdvtitheapny
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5urqD (D:)
    mhhhhhhssgvdlgtenlyfqsnamkivkraltfedvllrpgysevlpkevkihtkltkn
    itlnmplisaamdtvtehraaimmarlgglgvihknmdiasqvrevkrvkksesggikdl
    kkrkeypdankdnfgrlrvgaaigvgqmdrvdalveagvdvvvldsahghskgiidtvka
    ikakypnldliagniataaaakalceagvdavkvgigpgsicttrivsgvgvpqisaide
    cveeankfgvpviadggikysgdiakalavgassvmigsllagtdespgelftyqgrqyk
    syrgmgslgamqkgssdryfqqgtaqdklvpegiegrvpyvgsirsvvhqllgglrssmg
    yvgakdiedfqkraefveittaglkeshvhdvtitheapnykvnhq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5urqD (D:)
    amkivkraltfedvllrpgysevlpkevkihtkltknitlnmplisaamdtvtehraaim
    marlgglgvihknmdiasqvrevkrvkksesgkkrkeypdankdnfgrlrvgaaigvgqm
    drvdalveagvdvvvldsahghskgiidtvkaikakypnldliagniataaaakalceag
    vdavkvgigpgsicttrivsgvgvpqisaidecveeankfgvpviadggikysgdiakal
    avgassvmigsllagtdespgelftyqgrqyksyrgmgslgamqlvpegiegrvpyvgsi
    rsvvhqllgglrssmgyvgakdiedfqkraefveittaglkeshvhdvtitheapnykv
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >5urqE (E:)
    mhhhhhhssgvdlgtenlyfqsnamkivkraltfedvllrpgysevlpkevkihtkltkn
    itlnmplisaamdtvtehraaimmarlgglgvihknmdiasqvrevkrvkksesggikdl
    kkrkeypdankdnfgrlrvgaaigvgqmdrvdalveagvdvvvldsahghskgiidtvka
    ikakypnldliagniataaaakalceagvdavkvgigpgsicttrivsgvgvpqisaide
    cveeankfgvpviadggikysgdiakalavgassvmigsllagtdespgelftyqgrqyk
    syrgmgslgamqkgssdryfqqgtaqdklvpegiegrvpyvgsirsvvhqllgglrssmg
    yvgakdiedfqkraefveittaglkeshvhdvtitheapnykvnhq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5urqE (E:)
    amkivkraltfedvllrpgysevlpkevkihtkltknitlnmplisaamdtvtehraaim
    marlgglgvihknmdiasqvrevkrvkkseypdankdnfgrlrvgaaigvgqmdrvdalv
    eagvdvvvldsahghskgiidtvkaikakypnldliagniataaaakalceagvdavkvg
    igpgsicttrivsgvgvpqisaidecveeankfgvpviadggikysgdiakalavgassv
    migsllagtdespgelftyqgrqyksyrgmgslgamqkgssdklvpegiegrvpyvgsir
    svvhqllgglrssmgyvgakdiedfqkraefveittaglkeshvhdvtitheapnyk
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >5urqF (F:)
    mhhhhhhssgvdlgtenlyfqsnamkivkraltfedvllrpgysevlpkevkihtkltkn
    itlnmplisaamdtvtehraaimmarlgglgvihknmdiasqvrevkrvkksesggikdl
    kkrkeypdankdnfgrlrvgaaigvgqmdrvdalveagvdvvvldsahghskgiidtvka
    ikakypnldliagniataaaakalceagvdavkvgigpgsicttrivsgvgvpqisaide
    cveeankfgvpviadggikysgdiakalavgassvmigsllagtdespgelftyqgrqyk
    syrgmgslgamqkgssdryfqqgtaqdklvpegiegrvpyvgsirsvvhqllgglrssmg
    yvgakdiedfqkraefveittaglkeshvhdvtitheapnykvnhq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5urqF (F:)
    amkivkraltfedvllrpgysevlpkevkihtkltknitlnmplisaamdtvtehraaim
    marlgglgvihknmdiasqvrevkrvkksesgkeypdankdnfgrlrvgaaigvgqmdrv
    dalveagvdvvvldsahghskgiidtvkaikakypnldliagniataaaakalceagvda
    vkvgigpgsicttrivsgvgvpqisaidecveeankfgvpviadggikysgdiakalavg
    assvmigsllagtdespgelftyqgrqyksyrgmgslgamqklvpegiegrvpyvgsirs
    vvhqllgglrssmgyvgakdiedfqkraefveittaglkeshvhdvtitheapnyk
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >5urqG (G:)
    mhhhhhhssgvdlgtenlyfqsnamkivkraltfedvllrpgysevlpkevkihtkltkn
    itlnmplisaamdtvtehraaimmarlgglgvihknmdiasqvrevkrvkksesggikdl
    kkrkeypdankdnfgrlrvgaaigvgqmdrvdalveagvdvvvldsahghskgiidtvka
    ikakypnldliagniataaaakalceagvdavkvgigpgsicttrivsgvgvpqisaide
    cveeankfgvpviadggikysgdiakalavgassvmigsllagtdespgelftyqgrqyk
    syrgmgslgamqkgssdryfqqgtaqdklvpegiegrvpyvgsirsvvhqllgglrssmg
    yvgakdiedfqkraefveittaglkeshvhdvtitheapnykvnhq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5urqG (G:)
    amkivkraltfedvllrpgysevlpkevkihtkltknitlnmplisaamdtvtehraaim
    marlgglgvihknmdiasqvrevkrvkkseeypdankdnfgrlrvgaaigvgqmdrvdal
    veagvdvvvldsahghskgiidtvkaikakypnldliagniataaaakalceagvdavkv
    gigpgsicttrivsgvgvpqisaidecveeankfgvpviadggikysgdiakalavgass
    vmigsllagtdespgelftyqgrqyksyrgmgslgamqkgklvpegiegrvpyvgsirsv
    vhqllgglrssmgyvgakdiedfqkraefveittaglkeshvhdvtitheapnyk
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >5urqH (H:)
    mhhhhhhssgvdlgtenlyfqsnamkivkraltfedvllrpgysevlpkevkihtkltkn
    itlnmplisaamdtvtehraaimmarlgglgvihknmdiasqvrevkrvkksesggikdl
    kkrkeypdankdnfgrlrvgaaigvgqmdrvdalveagvdvvvldsahghskgiidtvka
    ikakypnldliagniataaaakalceagvdavkvgigpgsicttrivsgvgvpqisaide
    cveeankfgvpviadggikysgdiakalavgassvmigsllagtdespgelftyqgrqyk
    syrgmgslgamqkgssdryfqqgtaqdklvpegiegrvpyvgsirsvvhqllgglrssmg
    yvgakdiedfqkraefveittaglkeshvhdvtitheapnykvnhq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5urqH (H:)
    amkivkraltfedvllrpgysevlpkevkihtkltknitlnmplisaamdtvtehraaim
    marlgglgvihknmdiasqvrevkrvkksekeypdankdnfgrlrvgaaigvgqmdrvda
    lveagvdvvvldsahghskgiidtvkaikakypnldliagniataaaakalceagvdavk
    vgigpgsicttrivsgvgvpqisaidecveeankfgvpviadggikysgdiakalavgas
    svmigsllagtdespgelftyqgrqyksyrgmgslgamqklvpegiegrvpyvgsirsvv
    hqllgglrssmgyvgakdiedfqkraefveittaglkeshvhdvtitheapnykv