PDB entry 4ubu

View 4ubu on RCSB PDB site
Description: Structure of a modified C93S variant of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis in complex with CoA
Class: transferase
Keywords: acetylated, degradative thiolase, 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: 3 Å
R-factor: 0.25
AEROSPACI score: 0.14 (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): Domains in SCOPe 2.06: d4ubua1, d4ubua2
  • 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): Domains in SCOPe 2.06: d4ubub1, d4ubub2
  • 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): Domains in SCOPe 2.06: d4ubuc1, d4ubuc2
  • 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): Domains in SCOPe 2.06: d4ubud1, d4ubud2
  • Chain 'E':
    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)
    Domains in SCOPe 2.06: d4ubue1, d4ubue2, d4ubue3
  • Chain 'F':
    Compound: Acetyl-CoA acetyltransferase FadA5
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene: fadA5, Rv3546, P425_03688, RVBD_3546
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4ubuf1, d4ubuf2
  • Chain 'G':
    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 (6-7)
    Domains in SCOPe 2.06: d4ubug1, d4ubug2, d4ubug3
  • Chain 'H':
    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 (5-7)
    Domains in SCOPe 2.06: d4ubuh1, d4ubuh2, d4ubuh3
  • Heterogens: COA, GOL, HOH

PDB Chain Sequences:

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

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

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

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

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

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

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

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

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

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

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

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

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4ubuG (G:)
gsmgypviveatrspigkrngwlsglhatellgavqkavvdkagiqsglhagdveqvigg
cvtqfgeqsnnisrvawltaglpehvgattvdcqsgsgqqanhliagliaagaidvgiac
gieamsrvglganagpdrsliraqswdidlpnqfeaaeriakrrgitredvdvfglesqr
raqrawaegrfdreispiqapvldeqnqptgerrlvfrdqglrettmaglgelkpvlegg
ihtagtssqisdgaaavlwmdeavarahgltprarivaqalvgaepyyhldgpvqstakv
lekagmkigdidiveineafasvvlswarvhepdmdrvnvnggaialghpvgctgsrlit
talhelertdqslalitmcaggalstgtiieri

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4ubuH (H:)
hgsmgypviveatrspigkrngwlsglhatellgavqkavvdkagiqsglhagdveqvig
gcvtqfgeqsnnisrvawltaglpehvgattvdcqsgsgqqanhliagliaagaidvgia
cgieamsrvglganagpdrsliraqswdidlpnqfeaaeriakrrgitredvdvfglesq
rraqrawaegrfdreispiqapvldeqnqptgerrlvfrdqglrettmaglgelkpvleg
gihtagtssqisdgaaavlwmdeavarahgltprarivaqalvgaepyyhldgpvqstak
vlekagmkigdidiveineafasvvlswarvhepdmdrvnvnggaialghpvgctgsrli
ttalhelertdqslalitmcaggalstgtiieri