PDB entry 4qfe

View 4qfe on RCSB PDB site
Description: Crystal Structure of an Enoyl-CoA hydratase from Mycobacterium smegmatis
Class: lyase
Keywords: Structural Genomics, NIAID, National Institute of Allergy and Infectious Diseases, Seattle Structural Genomics Center for Infectious Disease, SSGCID, hydratase, LYASE
Deposited on 2014-05-20, released 2014-06-04
The last revision prior to the SCOPe 2.08 freeze date was dated 2014-06-04, with a file datestamp of 2014-05-30.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: 0.199
AEROSPACI score: 0.38 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: enoyl-coa hydratase
    Species: Mycobacterium smegmatis [TaxId:246196]
    Gene: echA5, MSMEG_1390, MSMEI_1352
    Database cross-references and differences (RAF-indexed):
    • Uniprot A0QS88 (6-End)
      • expression tag (3-5)
    Domains in SCOPe 2.08: d4qfea1, d4qfea2
  • Chain 'B':
    Compound: enoyl-coa hydratase
    Species: Mycobacterium smegmatis [TaxId:246196]
    Gene: echA5, MSMEG_1390, MSMEI_1352
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4qfeb_
  • Chain 'C':
    Compound: enoyl-coa hydratase
    Species: Mycobacterium smegmatis [TaxId:246196]
    Gene: echA5, MSMEG_1390, MSMEI_1352
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4qfec_
  • Chain 'D':
    Compound: enoyl-coa hydratase
    Species: Mycobacterium smegmatis [TaxId:246196]
    Gene: echA5, MSMEG_1390, MSMEI_1352
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4qfed_
  • Chain 'E':
    Compound: enoyl-coa hydratase
    Species: Mycobacterium smegmatis [TaxId:246196]
    Gene: echA5, MSMEG_1390, MSMEI_1352
    Database cross-references and differences (RAF-indexed):
    • Uniprot A0QS88 (6-End)
      • expression tag (5)
    Domains in SCOPe 2.08: d4qfee1, d4qfee2
  • Chain 'F':
    Compound: enoyl-coa hydratase
    Species: Mycobacterium smegmatis [TaxId:246196]
    Gene: echA5, MSMEG_1390, MSMEI_1352
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4qfef_
  • Chain 'G':
    Compound: enoyl-coa hydratase
    Species: Mycobacterium smegmatis [TaxId:246196]
    Gene: echA5, MSMEG_1390, MSMEI_1352
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4qfeg_
  • Chain 'H':
    Compound: enoyl-coa hydratase
    Species: Mycobacterium smegmatis [TaxId:246196]
    Gene: echA5, MSMEG_1390, MSMEI_1352
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4qfeh_
  • Chain 'I':
    Compound: enoyl-coa hydratase
    Species: Mycobacterium smegmatis [TaxId:246196]
    Gene: echA5, MSMEG_1390, MSMEI_1352
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4qfei_
  • Chain 'J':
    Compound: enoyl-coa hydratase
    Species: Mycobacterium smegmatis [TaxId:246196]
    Gene: echA5, MSMEG_1390, MSMEI_1352
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4qfej_
  • Chain 'K':
    Compound: enoyl-coa hydratase
    Species: Mycobacterium smegmatis [TaxId:246196]
    Gene: echA5, MSMEG_1390, MSMEI_1352
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4qfek_
  • Chain 'L':
    Compound: enoyl-coa hydratase
    Species: Mycobacterium smegmatis [TaxId:246196]
    Gene: echA5, MSMEG_1390, MSMEI_1352
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4qfel_
  • Heterogens: EDO, NA, EOH, PO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4qfeA (A:)
    gpgsmvsepvrierngpvttviidrpearnavngptaaalfaafeefdaddtasvavltg
    angtfcagadlkafgtpeanqvhregpgpmgpsrmdlskpviaaisgyavagglelalwc
    dlrvvdedatmgvfcrrwgvplidggtvrlprlighsramdliltgravdaaeayaigla
    nrvvptgqarqaaeelaadlarlpqqcmradrlsalhqwgesenaamdfefasisrvkde
    amhgagrfaagagrhgana
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qfeA (A:)
    smvsepvrierngpvttviidrpearnavngptaaalfaafeefdaddtasvavltgang
    tfcagadlkafgtpeanqvhregpgpmgpsrmdlskpviaaisgyavagglelalwcdlr
    vvdedatmgvfplidggtvrlprlighsramdliltgravdaaeayaiglanrvvptgqa
    rqaaeelaadlarlpqqcmradrlsalhqwgesenaamdfefasi
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4qfeB (B:)
    gpgsmvsepvrierngpvttviidrpearnavngptaaalfaafeefdaddtasvavltg
    angtfcagadlkafgtpeanqvhregpgpmgpsrmdlskpviaaisgyavagglelalwc
    dlrvvdedatmgvfcrrwgvplidggtvrlprlighsramdliltgravdaaeayaigla
    nrvvptgqarqaaeelaadlarlpqqcmradrlsalhqwgesenaamdfefasisrvkde
    amhgagrfaagagrhgana
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qfeB (B:)
    sepvrierngpvttviidrpearnavngptaaalfaafeefdaddtasvavltgangtfc
    agadlkafgtpeanqvhregpgpmgpsrmdlskpviaaisgyavagglelalwcdlrvvd
    edatmgvfcrrwgvplidggtvrlprlighsramdliltgravdaaeayaiglanrvvpt
    gqarqaaeelaadlarlpqqcmradrlsalhqwgesenaamdfefasi
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4qfeC (C:)
    gpgsmvsepvrierngpvttviidrpearnavngptaaalfaafeefdaddtasvavltg
    angtfcagadlkafgtpeanqvhregpgpmgpsrmdlskpviaaisgyavagglelalwc
    dlrvvdedatmgvfcrrwgvplidggtvrlprlighsramdliltgravdaaeayaigla
    nrvvptgqarqaaeelaadlarlpqqcmradrlsalhqwgesenaamdfefasisrvkde
    amhgagrfaagagrhgana
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qfeC (C:)
    sepvrierngpvttviidrpearnavngptaaalfaafeefdaddtasvavltgangtfc
    agadlkafgtpeanqvhregpgpmgpsrmdlskpviaaisgyavagglelalwcdlrvvd
    edatmgvfcrrwgvplidggtvrlprlighsramdliltgravdaaeayaiglanrvvpt
    gqarqaaeelaadlarlpqqcmradrlsalhqwgesenaamdfefasis
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4qfeD (D:)
    gpgsmvsepvrierngpvttviidrpearnavngptaaalfaafeefdaddtasvavltg
    angtfcagadlkafgtpeanqvhregpgpmgpsrmdlskpviaaisgyavagglelalwc
    dlrvvdedatmgvfcrrwgvplidggtvrlprlighsramdliltgravdaaeayaigla
    nrvvptgqarqaaeelaadlarlpqqcmradrlsalhqwgesenaamdfefasisrvkde
    amhgagrfaagagrhgana
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qfeD (D:)
    sepvrierngpvttviidrpearnavngptaaalfaafeefdaddtasvavltgangtfc
    agadlkafgtpeanqvhregpgpmgpsrmdlskpviaaisgyavagglelalwcdlrvvd
    edatmgvfcrrwgvplidggtvrlprlighsramdliltgravdaaeayaiglanrvvpt
    gqarqaaeelaadlarlpqqcmradrlsalhqwgesenaamdfefasisr
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >4qfeE (E:)
    gpgsmvsepvrierngpvttviidrpearnavngptaaalfaafeefdaddtasvavltg
    angtfcagadlkafgtpeanqvhregpgpmgpsrmdlskpviaaisgyavagglelalwc
    dlrvvdedatmgvfcrrwgvplidggtvrlprlighsramdliltgravdaaeayaigla
    nrvvptgqarqaaeelaadlarlpqqcmradrlsalhqwgesenaamdfefasisrvkde
    amhgagrfaagagrhgana
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qfeE (E:)
    vsepvrierngpvttviidrpearnavngptaaalfaafeefdaddtasvavltgangtf
    cagadlkafgtpeanqvhregpgpmgpsrmdlskpviaaisgyavagglelalwcdlrvv
    dedatmgvfcrplidggtvrlprlighsramdliltgravdaaeayaiglanrvvptgqa
    rqaaeelaadlarlpqqcmradrlsalhqwgesenaamdfefasi
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >4qfeF (F:)
    gpgsmvsepvrierngpvttviidrpearnavngptaaalfaafeefdaddtasvavltg
    angtfcagadlkafgtpeanqvhregpgpmgpsrmdlskpviaaisgyavagglelalwc
    dlrvvdedatmgvfcrrwgvplidggtvrlprlighsramdliltgravdaaeayaigla
    nrvvptgqarqaaeelaadlarlpqqcmradrlsalhqwgesenaamdfefasisrvkde
    amhgagrfaagagrhgana
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qfeF (F:)
    pvrierngpvttviidrpearnavngptaaalfaafeefdaddtasvavltgangtfcag
    adlkafgtpeanqvhregpgpmgpsrmdlskpviaaisgyavagglelalwcdlrvvded
    atmgvfcrrwgvplidggtvrlprlighsramdliltgravdaaeayaiglanrvvptgq
    arqaaeelaadlarlpqqcmradrlsalhqwgesenaamdfefasi
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >4qfeG (G:)
    gpgsmvsepvrierngpvttviidrpearnavngptaaalfaafeefdaddtasvavltg
    angtfcagadlkafgtpeanqvhregpgpmgpsrmdlskpviaaisgyavagglelalwc
    dlrvvdedatmgvfcrrwgvplidggtvrlprlighsramdliltgravdaaeayaigla
    nrvvptgqarqaaeelaadlarlpqqcmradrlsalhqwgesenaamdfefasisrvkde
    amhgagrfaagagrhgana
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qfeG (G:)
    epvrierngpvttviidrpearnavngptaaalfaafeefdaddtasvavltgangtfca
    gadlkafgtpeanqvhregpgpmgpsrmdlskpviaaisgyavagglelalwcdlrvvde
    datmgvfcrrwgvplidggtvrlprlighsramdliltgravdaaeayaiglanrvvptg
    qarqaaeelaadlarlpqqcmradrlsalhqwgesenaamdfefasi
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >4qfeH (H:)
    gpgsmvsepvrierngpvttviidrpearnavngptaaalfaafeefdaddtasvavltg
    angtfcagadlkafgtpeanqvhregpgpmgpsrmdlskpviaaisgyavagglelalwc
    dlrvvdedatmgvfcrrwgvplidggtvrlprlighsramdliltgravdaaeayaigla
    nrvvptgqarqaaeelaadlarlpqqcmradrlsalhqwgesenaamdfefasisrvkde
    amhgagrfaagagrhgana
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qfeH (H:)
    epvrierngpvttviidrpearnavngptaaalfaafeefdaddtasvavltgangtfca
    gadlkafgtpeanqvhregpgpmgpsrmdlskpviaaisgyavagglelalwcdlrvvde
    datmgvfcrrwgvplidggtvrlprlighsramdliltgravdaaeayaiglanrvvptg
    qarqaaeelaadlarlpqqcmradrlsalhqwgesenaamdfefasi
    

  • Chain 'I':
    Sequence, based on SEQRES records: (download)
    >4qfeI (I:)
    gpgsmvsepvrierngpvttviidrpearnavngptaaalfaafeefdaddtasvavltg
    angtfcagadlkafgtpeanqvhregpgpmgpsrmdlskpviaaisgyavagglelalwc
    dlrvvdedatmgvfcrrwgvplidggtvrlprlighsramdliltgravdaaeayaigla
    nrvvptgqarqaaeelaadlarlpqqcmradrlsalhqwgesenaamdfefasisrvkde
    amhgagrfaagagrhgana
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qfeI (I:)
    sepvrierngpvttviidrpearnavngptaaalfaafeefdaddtasvavltgangtfc
    agadlkafgtpeanqvhregpgpmgpsrmdlskpviaaisgyavagglelalwcdlrvvd
    edatmgvfcrrwgvplidggtvrlprlighsramdliltgravdaaeayaiglanrvvpt
    gqarqaaeelaadlarlpqqcmradrlsalhqwgesenaamdfefasi
    

  • Chain 'J':
    Sequence, based on SEQRES records: (download)
    >4qfeJ (J:)
    gpgsmvsepvrierngpvttviidrpearnavngptaaalfaafeefdaddtasvavltg
    angtfcagadlkafgtpeanqvhregpgpmgpsrmdlskpviaaisgyavagglelalwc
    dlrvvdedatmgvfcrrwgvplidggtvrlprlighsramdliltgravdaaeayaigla
    nrvvptgqarqaaeelaadlarlpqqcmradrlsalhqwgesenaamdfefasisrvkde
    amhgagrfaagagrhgana
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qfeJ (J:)
    epvrierngpvttviidrpearnavngptaaalfaafeefdaddtasvavltgangtfca
    gadlkafgtpeanqvhregpgpmgpsrmdlskpviaaisgyavagglelalwcdlrvvde
    datmgvfcrrwgvplidggtvrlprlighsramdliltgravdaaeayaiglanrvvptg
    qarqaaeelaadlarlpqqcmradrlsalhqwgesenaamdfefasis
    

  • Chain 'K':
    Sequence, based on SEQRES records: (download)
    >4qfeK (K:)
    gpgsmvsepvrierngpvttviidrpearnavngptaaalfaafeefdaddtasvavltg
    angtfcagadlkafgtpeanqvhregpgpmgpsrmdlskpviaaisgyavagglelalwc
    dlrvvdedatmgvfcrrwgvplidggtvrlprlighsramdliltgravdaaeayaigla
    nrvvptgqarqaaeelaadlarlpqqcmradrlsalhqwgesenaamdfefasisrvkde
    amhgagrfaagagrhgana
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qfeK (K:)
    pvrierngpvttviidrpearnavngptaaalfaafeefdaddtasvavltgangtfcag
    adlkafgtpeanqvhregpgpmgpsrmdlskpviaaisgyavagglelalwcdlrvvded
    atmgvfcrrwgvplidggtvrlprlighsramdliltgravdaaeayaiglanrvvptgq
    arqaaeelaadlarlpqqcmradrlsalhqwgesenaamdfefasisrv
    

  • Chain 'L':
    Sequence, based on SEQRES records: (download)
    >4qfeL (L:)
    gpgsmvsepvrierngpvttviidrpearnavngptaaalfaafeefdaddtasvavltg
    angtfcagadlkafgtpeanqvhregpgpmgpsrmdlskpviaaisgyavagglelalwc
    dlrvvdedatmgvfcrrwgvplidggtvrlprlighsramdliltgravdaaeayaigla
    nrvvptgqarqaaeelaadlarlpqqcmradrlsalhqwgesenaamdfefasisrvkde
    amhgagrfaagagrhgana
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qfeL (L:)
    epvrierngpvttviidrpearnavngptaaalfaafeefdaddtasvavltgangtfca
    gadlkafgtpeanqvhregpgpmgpsrmdlskpviaaisgyavagglelalwcdlrvvde
    datmgvfcrrwgvplidggtvrlprlighsramdliltgravdaaeayaiglanrvvptg
    qarqaaeelaadlarlpqqcmradrlsalhqwgesenaamdfefasisr