PDB entry 4ajo

View 4ajo on RCSB PDB site
Description: rat LDHA in complex with 2-((4-(4-((3-((2-methyl-1,3-benzothiazol-6yl) amino)-3-oxo-propyl)amino)-4-oxo-butyl)phenyl)methyl)propanedioic acid
Class: oxidoreductase/inhibitor
Keywords: oxidoreductase-inhibitor complex, fragment based lead generated inhibitors
Deposited on 2012-02-16, 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: 1.96 Å
R-factor: 0.15079
AEROSPACI score: 0.51 (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: d4ajoa1, d4ajoa2
  • 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: d4ajob1, d4ajob2
  • 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: d4ajoc1, d4ajoc2
  • 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: d4ajod1, d4ajod2
  • Heterogens: 88N, DMS, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4ajoA (A:)
    aalkdqlivnllkeeqvpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflktpkivsskdysvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspqckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgvnvagvslkslnpqlgtdadkeqwkdvhkqvvdsayev
    iklkgytswaiglsvadlaesimknlrrvhpistmikglygikedvflsvpcilgqngis
    dvvkvtltpdeearlkksadtlwgiqkelqf
    

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

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4ajoB (B:)
    aalkdqlivnllkeeqvpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflktpkivsskdysvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspqckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgvnvagvslkslnpqlgtdadkeqwkdvhkqvvdsayev
    iklkgytswaiglsvadlaesimknlrrvhpistmikglygikedvflsvpcilgqngis
    dvvkvtltpdeearlkksadtlwgiqkelqf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ajoB (B:)
    alkdqlivnllkeqvpqnkitvvgvgavgmacaisilmkdladelalvdviedklkgemm
    dlqhgslflktpkivsskdysvtansklviitagarqqegesrlnlvqrnvnifkfiipn
    vvkyspqckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhpl
    schgwvlgehgdssvpvwsgvnvagvslkslnpqlgtdadkeqwkdvhkqvvdsayevik
    lkgytswaiglsvadlaesimknlrrvhpistmikglygikedvflsvpcilgqngisdv
    vkvtltpdeearlkksadtlwgiqkelqf
    

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4ajoC (C:)
    aalkdqlivnllkeeqvpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflktpkivsskdysvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspqckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgvnvagvslkslnpqlgtdadkeqwkdvhkqvvdsayev
    iklkgytswaiglsvadlaesimknlrrvhpistmikglygikedvflsvpcilgqngis
    dvvkvtltpdeearlkksadtlwgiqkelqf
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4ajoD (D:)
    aalkdqlivnllkeeqvpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflktpkivsskdysvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspqckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgvnvagvslkslnpqlgtdadkeqwkdvhkqvvdsayev
    iklkgytswaiglsvadlaesimknlrrvhpistmikglygikedvflsvpcilgqngis
    dvvkvtltpdeearlkksadtlwgiqkelqf
    

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