PDB entry 4ajp

View 4ajp on RCSB PDB site
Description: Human 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: 2.38 Å
R-factor: 0.16808
AEROSPACI score: 0.39 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: L-lactate dehydrogenase A chain
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.03: d4ajpa1, d4ajpa2
  • Chain 'B':
    Compound: L-lactate dehydrogenase A chain
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.03: d4ajpb1, d4ajpb2
  • Chain 'C':
    Compound: L-lactate dehydrogenase A chain
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.03: d4ajpc1, d4ajpc2
  • Chain 'D':
    Compound: L-lactate dehydrogenase A chain
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.03: d4ajpd1, d4ajpd2
  • Heterogens: 0SN, SO4, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4ajpA (A:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqfhhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ajpA (A:)
    atlkdqliynllkqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkgemm
    dlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfiipn
    vvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhpl
    schgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayevik
    lkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngisdl
    vkvtltseeearlkksadtlwgiqkelqf
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4ajpB (B:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqfhhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ajpB (B:)
    atlkdqliynllketpqnkitvvgvgavgmacaisilmkdladelalvdviedklkgemm
    dlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfiipn
    vvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhpl
    schgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayevik
    lkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngisdl
    vkvtltseeearlkksadtlwgiqkelqf
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4ajpC (C:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqfhhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ajpC (C:)
    atlkdqliynllkqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkgemm
    dlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfiipn
    vvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhpl
    schgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayevik
    lkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngisdl
    vkvtltseeearlkksadtlwgiqkelqf
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4ajpD (D:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqfhhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ajpD (D:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqf