PDB entry 4ajl

View 4ajl on RCSB PDB site
Description: rat LDHA in complex with 3-(ethylcarbamoylamino)-N-(2-methyl-1,3- benzothiazol-6-yl)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: 1.77 Å
R-factor: 0.1445
AEROSPACI score: 0.56 (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: d4ajla1, d4ajla2
  • 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: d4ajlb1, d4ajlb2
  • 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: d4ajlc1, d4ajlc2
  • 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: d4ajld1, d4ajld2
  • Heterogens: GOL, 88W, MLI, DMS, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >4ajlA (A:)
    alkdqlivnllkqvpqnkitvvgvgavgmacaisilmkdladelalvdviedklkgemmd
    lqhgslflktpkivsskdysvtansklviitagarqqegesrlnlvqrnvnifkfiipnv
    vkyspqckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhpls
    chgwvlgehgdssvpvwsgvnvagvslkslnpqlgtdadkeqwkdvhkqvvdsayevikl
    kgytswaiglsvadlaesimknlrrvhpistmikglygikedvflsvpcilgqngisdvv
    kvtltpdeearlkksadtlwgiqkelqf
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >4ajlB (B:)
    alkdqlivnllkqvpqnkitvvgvgavgmacaisilmkdladelalvdviedklkgemmd
    lqhgslflktpkivsskdysvtansklviitagarqqegesrlnlvqrnvnifkfiipnv
    vkyspqckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhpls
    chgwvlgehgdssvpvwsgvnvagvslkslnpqlgtdadkeqwkdvhkqvvdsayevikl
    kgytswaiglsvadlaesimknlrrvhpistmikglygikedvflsvpcilgqngisdvv
    kvtltpdeearlkksadtlwgiqkelqf
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >4ajlC (C:)
    aalkdqlivnllkqvpqnkitvvgvgavgmacaisilmkdladelalvdviedklkgemm
    dlqhgslflktpkivsskdysvtansklviitagarqqegesrlnlvqrnvnifkfiipn
    vvkyspqckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhpl
    schgwvlgehgdssvpvwsgvnvagvslkslnpqlgtdadkeqwkdvhkqvvdsayevik
    lkgytswaiglsvadlaesimknlrrvhpistmikglygikedvflsvpcilgqngisdv
    vkvtltpdeearlkksadtlwgiqkelqf
    

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