PDB entry 6ijb

View 6ijb on RCSB PDB site
Description: Structure of 3-methylmercaptopropionate CoA ligase mutant K523A in complex with AMP and MMPA
Class: ligase
Keywords: CoA ligase, ATP dependent, comformational change, LIGASE
Deposited on 2018-10-09, released 2019-07-03
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-07-03, with a file datestamp of 2019-06-28.
Experiment type: XRAY
Resolution: 2.11 Å
R-factor: N/A
AEROSPACI score: 0.28 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: AMP-binding domain protein
    Species: Ruegeria lacuscaerulensis (strain DSM 11314 / KCTC 2953 / ITI-1157) [TaxId:644107]
    Gene: SL1157_2728
    Database cross-references and differences (RAF-indexed):
    • Uniprot D0CPY8 (0-End)
      • engineered mutation (522)
    Domains in SCOPe 2.08: d6ijba_
  • Chain 'B':
    Compound: AMP-binding domain protein
    Species: Ruegeria lacuscaerulensis (strain DSM 11314 / KCTC 2953 / ITI-1157) [TaxId:644107]
    Gene: SL1157_2728
    Database cross-references and differences (RAF-indexed):
    • Uniprot D0CPY8 (0-End)
      • engineered mutation (522)
    Domains in SCOPe 2.08: d6ijbb_
  • Heterogens: AMP, A8C, B3P, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6ijbA (A:)
mlgqmmtqpllisslidhaaryhgqteivsvetdgtvtrtnwgeiaanarrmgsaltklg
lqpqdrigtlawnnrrhleiyyaasgagfvchtinprlfpeqlvyiinhaqdrvlffdat
flplvaairdqltevkhfvlmgprnedalqqipglefydelietgdtdfewpvfdentas
slcytsgttghpkgvlyshrstvlhsfasntrdvigysamdvvmpvvpmfhvnawgspyg
camsgaqmvlpgpdlhgealvnlidtygvtlamgvptiwqgllahaakcgtkleslertv
iggaacppsmiatfrekygvdtvhawgmsemsplgtaniplakhrklpieeqhklrenqg
rppfgvelkivdddgndlphdgvtqgdlmvrghwvldsyfqlkdqellqdgwfatgdvat
ldpdgymtirdrskdiiksggewissveleniavahpklataavigvphpkwderpllva
vkaegedpseaelleffdgkiakwqvpdkvvfvdalplnatgavlkrklrdefkdaltg

    Sequence, based on observed residues (ATOM records): (download) 
    >6ijbA (A:)
mlgqmmtqpllisslidhaaryhgqteivsvetdgtvtrtnwgeiaanarrmgsaltklg
lqpqdrigtlawnnrrhleiyyaasgagfvchtinprlfpeqlvyiinhaqdrvlffdat
flplvaairdqltevkhfvlmgprnedalqqipglefydelietgdtdfewpvfdentas
slcythpkgvlyshrstvlhsfasntrdvigysamdvvmpvvpmfhvnawgspygcamsg
aqmvlpgpdlhgealvnlidtygvtlamgvptiwqgllahaakcgtkleslertviggaa
cppsmiatfrekygvdtvhawgmsemsplgtaniplakhrklpieeqhklrenqgrppfg
velkivdddgndlphdgvtqgdlmvrghwvldsyfqlkdqellqdgwfatgdvatldpdg
ymtirdrskdiiksggewissveleniavahpklataavigvphpkwderpllvavkaeg
edpseaelleffdgkiakwqvpdkvvfvdalplnatgavlkrklrdefkdalt

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6ijbB (B:)
mlgqmmtqpllisslidhaaryhgqteivsvetdgtvtrtnwgeiaanarrmgsaltklg
lqpqdrigtlawnnrrhleiyyaasgagfvchtinprlfpeqlvyiinhaqdrvlffdat
flplvaairdqltevkhfvlmgprnedalqqipglefydelietgdtdfewpvfdentas
slcytsgttghpkgvlyshrstvlhsfasntrdvigysamdvvmpvvpmfhvnawgspyg
camsgaqmvlpgpdlhgealvnlidtygvtlamgvptiwqgllahaakcgtkleslertv
iggaacppsmiatfrekygvdtvhawgmsemsplgtaniplakhrklpieeqhklrenqg
rppfgvelkivdddgndlphdgvtqgdlmvrghwvldsyfqlkdqellqdgwfatgdvat
ldpdgymtirdrskdiiksggewissveleniavahpklataavigvphpkwderpllva
vkaegedpseaelleffdgkiakwqvpdkvvfvdalplnatgavlkrklrdefkdaltg

    Sequence, based on observed residues (ATOM records): (download) 
    >6ijbB (B:)
mlgqmmtqpllisslidhaaryhgqteivsvetdgtvtrtnwgeiaanarrmgsaltklg
lqpqdrigtlawnnrrhleiyyaasgagfvchtinprlfpeqlvyiinhaqdrvlffdat
flplvaairdqltevkhfvlmgprnedalqqipglefydelietgdtdfewpvfdentas
slcytsgttghpkgvlyshrstvlhsfasntrdvigysamdvvmpvvpmfhvnawgspyg
camsgaqmvlpgpdlhgealvnlidtygvtlamgvptiwqgllahaakcgtkleslertv
iggaacppsmiatfrekygvdtvhawgmsemsplgtaniplakhrklpieeqhklrenqg
rppfgvelkivdddgndlphdgvtqgdlmvrghwvldsyfqlkdqellqdgwfatgdvat
ldpdgymtirdrskdiiksggewissveleniavahpklataavigvphpkwderpllva
vkaegedpseaelleffdgkiakwqvpdkvvfvdalplnatgavlkrklrdefkdalt