PDB entry 4ajn

View 4ajn on RCSB PDB site
Description: rat LDHA in complex with 2-((4-(2-((3-((2-methyl-1,3-benzothiazol-6- yl)amino)-3-oxo-propyl)carbamoylamino)ethyl)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 2.06 freeze date was dated 2012-04-25, with a file datestamp of 2012-04-20.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.18111
AEROSPACI score: 0.44 (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 2.06: d4ajna1, d4ajna2
  • Chain 'B':
    Compound: L-lactate dehydrogenase A chain
    Species: Rattus norvegicus [TaxId:10116]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4ajnb1, d4ajnb2
  • Chain 'C':
    Compound: L-lactate dehydrogenase A chain
    Species: Rattus norvegicus [TaxId:10116]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4ajnc1, d4ajnc2
  • Chain 'D':
    Compound: L-lactate dehydrogenase A chain
    Species: Rattus norvegicus [TaxId:10116]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4ajnd1, d4ajnd2
  • Heterogens: 88V, GOL, HOH

PDB Chain Sequences:

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

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

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

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

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

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

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

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