PDB entry 3q0j

View 3q0j on RCSB PDB site
Description: Crystal Structure of the Mycobacterium tuberculosis Crotonase in complex with the Inhibitor AcetoacetylCoA
Class: lyase/lyase inhibitor
Keywords: Structural Genomics, TB Structural Genomics Consortium, TBSGC, Crotonase, Enoyl CoA Hydratase, LYASE, LYASE-LYASE INHIBITOR complex
Deposited on 2010-12-15, released 2012-01-25
The last revision prior to the SCOPe 2.08 freeze date was dated 2012-01-25, with a file datestamp of 2012-01-20.
Experiment type: XRAY
Resolution: 2.4 Å
R-factor: 0.2
AEROSPACI score: 0.36 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: enoyl-CoA hydratase echA8
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene: echA8, MT1100, MTV017.23c, Rv1070c
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3q0ja_
  • Chain 'B':
    Compound: enoyl-CoA hydratase echA8
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene: echA8, MT1100, MTV017.23c, Rv1070c
    Database cross-references and differences (RAF-indexed):
    • Uniprot P64016 (1-End)
      • expression tag (0)
    Domains in SCOPe 2.08: d3q0jb1, d3q0jb2
  • Chain 'C':
    Compound: enoyl-CoA hydratase echA8
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene: echA8, MT1100, MTV017.23c, Rv1070c
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3q0jc_
  • Chain 'D':
    Compound: enoyl-CoA hydratase echA8
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene: echA8, MT1100, MTV017.23c, Rv1070c
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3q0jd_
  • Chain 'E':
    Compound: enoyl-CoA hydratase echA8
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene: echA8, MT1100, MTV017.23c, Rv1070c
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3q0je_
  • Chain 'F':
    Compound: enoyl-CoA hydratase echA8
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene: echA8, MT1100, MTV017.23c, Rv1070c
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3q0jf_
  • Heterogens: CAA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3q0jA (A:)
smtyetilverdqrvgiitlnrpqalnalnsqvmnevtsaateldddpdigaiiitgsak
afaagadikemadltfadaftadffatwgklaavrtptiaavagyalgggcelammcdvl
iaadtakfgqpeiklgvlpgmggsqrltraigkakamdliltgrtmdaaeaersglvsrv
vpaddlltearatattisqmsasaarmakeavnrafesslsegllyerrlfhsafatedq
segmaafiekrapqfthr

    Sequence, based on observed residues (ATOM records): (download) 
    >3q0jA (A:)
mtyetilverdqrvgiitlnrpqalnalnsqvmnevtsaateldddpdigaiiitgsaka
faagadikemadltfadaftadffatwgklaavrtptiaavagyalgggcelammcdvli
aadtakfgqpeiklgvlpgmggsqrltraigkakamdliltgrtmdaaeaersglvsrvv
paddlltearatattisqmsasaarmakeavnrafesslsegllyerrlfhsafatedqs
egmaafiekrapqft

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3q0jB (B:)
smtyetilverdqrvgiitlnrpqalnalnsqvmnevtsaateldddpdigaiiitgsak
afaagadikemadltfadaftadffatwgklaavrtptiaavagyalgggcelammcdvl
iaadtakfgqpeiklgvlpgmggsqrltraigkakamdliltgrtmdaaeaersglvsrv
vpaddlltearatattisqmsasaarmakeavnrafesslsegllyerrlfhsafatedq
segmaafiekrapqfthr

    Sequence, based on observed residues (ATOM records): (download) 
    >3q0jB (B:)
smtyetilverdqrvgiitlnrpqalnalnsqvmnevtsaateldddpdigaiiitgsak
afaagadikemadltfadaftadffatwgklaavrtptiaavagyalgggcelammcdvl
iaadtakfgqpeiklgvlpgmggsqrltraigkakamdliltgrtmdaaeaersglvsrv
vpaddlltearatattisqmsasaarmakeavnrafesslsegllyerrlfhsafatedq
segmaafiekrapqf

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >3q0jC (C:)
smtyetilverdqrvgiitlnrpqalnalnsqvmnevtsaateldddpdigaiiitgsak
afaagadikemadltfadaftadffatwgklaavrtptiaavagyalgggcelammcdvl
iaadtakfgqpeiklgvlpgmggsqrltraigkakamdliltgrtmdaaeaersglvsrv
vpaddlltearatattisqmsasaarmakeavnrafesslsegllyerrlfhsafatedq
segmaafiekrapqfthr

    Sequence, based on observed residues (ATOM records): (download) 
    >3q0jC (C:)
mtyetilverdqrvgiitlnrpqalnalnsqvmnevtsaateldddpdigaiiitgsaka
faagadikemadltfadaftadffatwgklaavrtptiaavagyalgggcelammcdvli
aadtakfgqpeiklgvlpgmggsqrltraigkakamdliltgrtmdaaeaersglvsrvv
paddlltearatattisqmsasaarmakeavnrafesslsegllyerrlfhsafatedqs
egmaafiekrapqft

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >3q0jD (D:)
smtyetilverdqrvgiitlnrpqalnalnsqvmnevtsaateldddpdigaiiitgsak
afaagadikemadltfadaftadffatwgklaavrtptiaavagyalgggcelammcdvl
iaadtakfgqpeiklgvlpgmggsqrltraigkakamdliltgrtmdaaeaersglvsrv
vpaddlltearatattisqmsasaarmakeavnrafesslsegllyerrlfhsafatedq
segmaafiekrapqfthr

    Sequence, based on observed residues (ATOM records): (download) 
    >3q0jD (D:)
tyetilverdqrvgiitlnrpqalnalnsqvmnevtsaateldddpdigaiiitgsakaf
aagadikemadltfadaftadffatwgklaavrtptiaavagyalgggcelammcdvlia
adtakfgqpeiklgvlpgmggsqrltraigkakamdliltgrtmdaaeaersglvsrvvp
addlltearatattisqmsasaarmakeavnrafesslsegllyerrlfhsafatedqse
gmaafiekrapqfth

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >3q0jE (E:)
smtyetilverdqrvgiitlnrpqalnalnsqvmnevtsaateldddpdigaiiitgsak
afaagadikemadltfadaftadffatwgklaavrtptiaavagyalgggcelammcdvl
iaadtakfgqpeiklgvlpgmggsqrltraigkakamdliltgrtmdaaeaersglvsrv
vpaddlltearatattisqmsasaarmakeavnrafesslsegllyerrlfhsafatedq
segmaafiekrapqfthr

    Sequence, based on observed residues (ATOM records): (download) 
    >3q0jE (E:)
tyetilverdqrvgiitlnrpqalnalnsqvmnevtsaateldddpdigaiiitgsakaf
aagadikemadltfadaftadffatwgklaavrtptiaavagyalgggcelammcdvlia
adtakfgqpeiklgvlpgmggsqrltraigkakamdliltgrtmdaaeaersglvsrvvp
addlltearatattisqmsasaarmakeavnrafesslsegllyerrlfhsafatedqse
gmaafiekrapqf

  • Chain 'F':
    Sequence, based on SEQRES records: (download) 
    >3q0jF (F:)
smtyetilverdqrvgiitlnrpqalnalnsqvmnevtsaateldddpdigaiiitgsak
afaagadikemadltfadaftadffatwgklaavrtptiaavagyalgggcelammcdvl
iaadtakfgqpeiklgvlpgmggsqrltraigkakamdliltgrtmdaaeaersglvsrv
vpaddlltearatattisqmsasaarmakeavnrafesslsegllyerrlfhsafatedq
segmaafiekrapqfthr

    Sequence, based on observed residues (ATOM records): (download) 
    >3q0jF (F:)
mtyetilverdqrvgiitlnrpqalnalnsqvmnevtsaateldddpdigaiiitgsaka
faagadikemadltfadaftadffatwgklaavrtptiaavagyalgggcelammcdvli
aadtakfgqpeiklgvlpgmggsqrltraigkakamdliltgrtmdaaeaersglvsrvv
paddlltearatattisqmsasaarmakeavnrafesslsegllyerrlfhsafatedqs
egmaafiekrapqf