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 2.08 freeze date was dated 2014-09-17, with a file datestamp of 2014-09-12.
Experiment type: XRAY
Resolution: 2.38 Å
R-factor: 0.16808
AEROSPACI score: 0.31 (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 2.08: 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 2.08: 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 2.08: 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 2.08: d4ajpd1, d4ajpd2
  • Heterogens: 88N, 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