PDB entry 4aj4

View 4aj4 on RCSB PDB site
Description: rat LDHA in complex with 4-((2-allylsulfanyl-1,3-benzothizol-6-yl) amino)-4-oxo-butanoic acid
Class: oxidoreductase/inhibitor
Keywords: oxidoreductase-inhibitor complex, fragment based lead generated inhibitors
Deposited on 2012-02-15, released 2012-03-21
The last revision prior to the SCOPe 2.03 freeze date was dated 2012-04-25, with a file datestamp of 2012-04-20.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.19773
AEROSPACI score: 0.47 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: L-lactate dehydrogenase A chain
    Species: Rattus norvegicus [TaxId:10116]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.03: d4aj4a1, d4aj4a2
  • Chain 'B':
    Compound: L-lactate dehydrogenase A chain
    Species: Rattus norvegicus [TaxId:10116]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.03: d4aj4b1, d4aj4b2
  • Chain 'C':
    Compound: L-lactate dehydrogenase A chain
    Species: Rattus norvegicus [TaxId:10116]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.03: d4aj4c1, d4aj4c2
  • Chain 'D':
    Compound: L-lactate dehydrogenase A chain
    Species: Rattus norvegicus [TaxId:10116]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.03: d4aj4d1, d4aj4d2
  • Heterogens: MLI, VAB, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4aj4A (A:)
    maalkdqlivnllkeeqvpqnkitvvgvgavgmacaisilmkdladelalvdviedklkg
    emmdlqhgslflktpkivsskdysvtansklviitagarqqegesrlnlvqrnvnifkfi
    ipnvvkyspqckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgv
    hplschgwvlgehgdssvpvwsgvnvagvslkslnpqlgtdadkeqwkdvhkqvvdsaye
    viklkgytswaiglsvadlaesimknlrrvhpistmikglygikedvflsvpcilgqngi
    sdvvkvtltpdeearlkksadtlwgiqkelqf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4aj4A (A:)
    aalkdqlivnllkeeqvpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflktpkivsskdysvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspqckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgvnvagvslkslnpqlgtdadkeqwkdvhkqvvdsayev
    iklkgytswaiglsvadlaesimknlrrvhpistmikglygikedvflsvpcilgqngis
    dvvkvtltpdeearlkksadtlwgiqkelqf
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4aj4B (B:)
    maalkdqlivnllkeeqvpqnkitvvgvgavgmacaisilmkdladelalvdviedklkg
    emmdlqhgslflktpkivsskdysvtansklviitagarqqegesrlnlvqrnvnifkfi
    ipnvvkyspqckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgv
    hplschgwvlgehgdssvpvwsgvnvagvslkslnpqlgtdadkeqwkdvhkqvvdsaye
    viklkgytswaiglsvadlaesimknlrrvhpistmikglygikedvflsvpcilgqngi
    sdvvkvtltpdeearlkksadtlwgiqkelqf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4aj4B (B:)
    alkdqlivnllkeeqvpqnkitvvgvgavgmacaisilmkdladelalvdviedklkgem
    mdlqhgslflktpkivsskdysvtansklviitagarqqegesrlnlvqrnvnifkfiip
    nvvkyspqckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhp
    lschgwvlgehgdssvpvwsgvnvagvslkslnpqlgtdadkeqwkdvhkqvvdsayevi
    klkgytswaiglsvadlaesimknlrrvhpistmikglygikedvflsvpcilgqngisd
    vvkvtltpdeearlkksadtlwgiqkelqf
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4aj4C (C:)
    maalkdqlivnllkeeqvpqnkitvvgvgavgmacaisilmkdladelalvdviedklkg
    emmdlqhgslflktpkivsskdysvtansklviitagarqqegesrlnlvqrnvnifkfi
    ipnvvkyspqckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgv
    hplschgwvlgehgdssvpvwsgvnvagvslkslnpqlgtdadkeqwkdvhkqvvdsaye
    viklkgytswaiglsvadlaesimknlrrvhpistmikglygikedvflsvpcilgqngi
    sdvvkvtltpdeearlkksadtlwgiqkelqf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4aj4C (C:)
    alkdqlivnllkeeqvpqnkitvvgvgavgmacaisilmkdladelalvdviedklkgem
    mdlqhgslflktpkivsskdysvtansklviitagarqqegesrlnlvqrnvnifkfiip
    nvvkyspqckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhp
    lschgwvlgehgdssvpvwsgvnvagvslkslnpqlgtdadkeqwkdvhkqvvdsayevi
    klkgytswaiglsvadlaesimknlrrvhpistmikglygikedvflsvpcilgqngisd
    vvkvtltpdeearlkksadtlwgiqkelqf
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4aj4D (D:)
    maalkdqlivnllkeeqvpqnkitvvgvgavgmacaisilmkdladelalvdviedklkg
    emmdlqhgslflktpkivsskdysvtansklviitagarqqegesrlnlvqrnvnifkfi
    ipnvvkyspqckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgv
    hplschgwvlgehgdssvpvwsgvnvagvslkslnpqlgtdadkeqwkdvhkqvvdsaye
    viklkgytswaiglsvadlaesimknlrrvhpistmikglygikedvflsvpcilgqngi
    sdvvkvtltpdeearlkksadtlwgiqkelqf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4aj4D (D:)
    alkdqlivnllkeeqvpqnkitvvgvgavgmacaisilmkdladelalvdviedklkgem
    mdlqhgslflktpkivsskdysvtansklviitagarqqegesrlnlvqrnvnifkfiip
    nvvkyspqckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhp
    lschgwvlgehgdssvpvwsgvnvagvslkslnpqlgtdadkeqwkdvhkqvvdsayevi
    klkgytswaiglsvadlaesimknlrrvhpistmikglygikedvflsvpcilgqngisd
    vvkvtltpdeearlkksadtlwgiqkelqf