PDB entry 4ajj

View 4ajj on RCSB PDB site
Description: rat LDHA in complex with 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid and N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido-propanamide
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: 1.75 Å
R-factor: 0.1458
AEROSPACI score: 0.57 (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: d4ajja1, d4ajja2
  • 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: d4ajjb1, d4ajjb2
  • 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: d4ajjc1, d4ajjc2
  • 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: d4ajjd1, d4ajjd2
  • Heterogens: 88S, MLI, 88R, DMS, GOL, HOH

PDB Chain Sequences:

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

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

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

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

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

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