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 2.08 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 2.08: 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 2.08: 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 2.08: 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 2.08: 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