PDB entry 4ubt

View 4ubt on RCSB PDB site
Description: Structure of the C93S variant of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis in complex with a steroid and CoA.
Class: transferase
Keywords: degradative thiolase, steroid-complex, transferase
Deposited on 2014-08-13, released 2014-12-17
The last revision prior to the SCOPe 2.06 freeze date was dated 2015-01-14, with a file datestamp of 2015-01-09.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: 0.146
AEROSPACI score: 0.51 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Acetyl-CoA acetyltransferase FadA5
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene: fadA5, Rv3546, P425_03688, RVBD_3546
    Database cross-references and differences (RAF-indexed):
    • Uniprot I6XHI4 (8-398)
      • expression tag (3-7)
      • engineered mutation (100)
    Domains in SCOPe 2.06: d4ubta1, d4ubta2, d4ubta3
  • Chain 'B':
    Compound: Acetyl-CoA acetyltransferase FadA5
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene: fadA5, Rv3546, P425_03688, RVBD_3546
    Database cross-references and differences (RAF-indexed):
    • Uniprot I6XHI4 (8-398)
      • expression tag (7)
      • engineered mutation (100)
    Domains in SCOPe 2.06: d4ubtb1, d4ubtb2, d4ubtb3
  • Chain 'C':
    Compound: Acetyl-CoA acetyltransferase FadA5
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene: fadA5, Rv3546, P425_03688, RVBD_3546
    Database cross-references and differences (RAF-indexed):
    • Uniprot I6XHI4 (8-398)
      • engineered mutation (100)
    Domains in SCOPe 2.06: d4ubtc1, d4ubtc2
  • Chain 'D':
    Compound: Acetyl-CoA acetyltransferase FadA5
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene: fadA5, Rv3546, P425_03688, RVBD_3546
    Database cross-references and differences (RAF-indexed):
    • Uniprot I6XHI4 (8-398)
      • engineered mutation (100)
    Domains in SCOPe 2.06: d4ubtd1, d4ubtd2
  • Heterogens: COA, 3G6, GOL, CL, PEG, NA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4ubtA (A:)
    hhhhhhgsmgypviveatrspigkrngwlsglhatellgavqkavvdkagiqsglhagdv
    eqviggcvtqfgeqsnnisrvawltaglpehvgattvdcqsgsgqqanhliagliaagai
    dvgiacgieamsrvglganagpdrsliraqswdidlpnqfeaaeriakrrgitredvdvf
    glesqrraqrawaegrfdreispiqapvldeqnqptgerrlvfrdqglrettmaglgelk
    pvleggihtagtssqisdgaaavlwmdeavarahgltprarivaqalvgaepyyhldgpv
    qstakvlekagmkigdidiveineafasvvlswarvhepdmdrvnvnggaialghpvgct
    gsrlittalhelertdqslalitmcaggalstgtiieri
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ubtA (A:)
    hhhgsmgypviveatrspigkrngwlsglhatellgavqkavvdkagiqsglhagdveqv
    iggcvtqfgeqsnnisrvawltaglpehvgattvdcqsgsgqqanhliagliaagaidvg
    iacgieamsrvglganagpdrsliraqswdidlpnqfeaaeriakrrgitredvdvfgle
    sqrraqrawaegrfdreispiqapvldeqnqptgerrlvfrdqglrettmaglgelkpvl
    eggihtagtssqisdgaaavlwmdeavarahgltprarivaqalvgaepyyhldgpvqst
    akvlekagmkigdidiveineafasvvlswarvhepdmdrvnvnggaialghpvgctgsr
    littalhelertdqslalitmcaggalstgtiieri
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4ubtB (B:)
    hhhhhhgsmgypviveatrspigkrngwlsglhatellgavqkavvdkagiqsglhagdv
    eqviggcvtqfgeqsnnisrvawltaglpehvgattvdcqsgsgqqanhliagliaagai
    dvgiacgieamsrvglganagpdrsliraqswdidlpnqfeaaeriakrrgitredvdvf
    glesqrraqrawaegrfdreispiqapvldeqnqptgerrlvfrdqglrettmaglgelk
    pvleggihtagtssqisdgaaavlwmdeavarahgltprarivaqalvgaepyyhldgpv
    qstakvlekagmkigdidiveineafasvvlswarvhepdmdrvnvnggaialghpvgct
    gsrlittalhelertdqslalitmcaggalstgtiieri
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ubtB (B:)
    smgypviveatrspigkrngwlsglhatellgavqkavvdkagiqsglhagdveqviggc
    vtqfgeqsnnisrvawltaglpehvgattvdcqsgsgqqanhliagliaagaidvgiacg
    ieamsrvglganagpdrsliraqswdidlpnqfeaaeriakrrgitredvdvfglesqrr
    aqrawaegrfdreispiqapvldeqnqptgerrlvfrdqglrettmaglgelkpvleggi
    htagtssqisdgaaavlwmdeavarahgltprarivaqalvgaepyyhldgpvqstakvl
    ekagmkigdidiveineafasvvlswarvhepdmdrvnvnggaialghpvgctgsrlitt
    alhelertdqslalitmcaggalstgtiieri
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4ubtC (C:)
    hhhhhhgsmgypviveatrspigkrngwlsglhatellgavqkavvdkagiqsglhagdv
    eqviggcvtqfgeqsnnisrvawltaglpehvgattvdcqsgsgqqanhliagliaagai
    dvgiacgieamsrvglganagpdrsliraqswdidlpnqfeaaeriakrrgitredvdvf
    glesqrraqrawaegrfdreispiqapvldeqnqptgerrlvfrdqglrettmaglgelk
    pvleggihtagtssqisdgaaavlwmdeavarahgltprarivaqalvgaepyyhldgpv
    qstakvlekagmkigdidiveineafasvvlswarvhepdmdrvnvnggaialghpvgct
    gsrlittalhelertdqslalitmcaggalstgtiieri
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ubtC (C:)
    mgypviveatrspigkrngwlsglhatellgavqkavvdkagiqsglhagdveqviggcv
    tqfgeqsnnisrvawltaglpehvgattvdcqsgsgqqanhliagliaagaidvgiacgi
    eamsrvglganagpdrsliraqswdidlpnqfeaaeriakrrgitredvdvfglesqrra
    qrawaegrfdreispiqapvldeqnqptgerrlvfrdqglrettmaglgelkpvleggih
    tagtssqisdgaaavlwmdeavarahgltprarivaqalvgaepyyhldgpvqstakvle
    kagmkigdidiveineafasvvlswarvhepdmdrvnvnggaialghpvgctgsrlitta
    lhelertdqslalitmcaggalstgtiieri
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4ubtD (D:)
    hhhhhhgsmgypviveatrspigkrngwlsglhatellgavqkavvdkagiqsglhagdv
    eqviggcvtqfgeqsnnisrvawltaglpehvgattvdcqsgsgqqanhliagliaagai
    dvgiacgieamsrvglganagpdrsliraqswdidlpnqfeaaeriakrrgitredvdvf
    glesqrraqrawaegrfdreispiqapvldeqnqptgerrlvfrdqglrettmaglgelk
    pvleggihtagtssqisdgaaavlwmdeavarahgltprarivaqalvgaepyyhldgpv
    qstakvlekagmkigdidiveineafasvvlswarvhepdmdrvnvnggaialghpvgct
    gsrlittalhelertdqslalitmcaggalstgtiieri
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ubtD (D:)
    mgypviveatrspigkrngwlsglhatellgavqkavvdkagiqsglhagdveqviggcv
    tqfgeqsnnisrvawltaglpehvgattvdcqsgsgqqanhliagliaagaidvgiacgi
    eamsrvglganalpnqfeaaeriakrrgitredvdvfglesqrraqrawaegrfdreisp
    iqapvldeqnqptgerrlvfrdqglrettmaglgelkpvleggihtagtssqisdgaaav
    lwmdeavarahgltprarivaqalvgaepyyhldgpvqstakvlekagmkigdidivein
    eafasvvlswarvhepdmdrvnvnggaialghpvgctgsrlittalhelertdqslalit
    mcaggalstgtiieri