PDB entry 4i9n

View 4i9n on RCSB PDB site
Description: Crystal structure of rabbit LDHA in complex with AP28161 and AP28122
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: cancer, fragment, inhibitor, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2012-12-05, released 2013-01-23
The last revision prior to the SCOPe 2.08 freeze date was dated 2013-02-27, with a file datestamp of 2013-02-22.
Experiment type: XRAY
Resolution: 2.35 Å
R-factor: 0.22
AEROSPACI score: 0.34 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: L-lactate dehydrogenase A chain
    Species: Oryctolagus cuniculus [TaxId:9986]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4i9na1, d4i9na2
  • Chain 'B':
    Compound: L-lactate dehydrogenase A chain
    Species: Oryctolagus cuniculus [TaxId:9986]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4i9nb1, d4i9nb2
  • Chain 'C':
    Compound: L-lactate dehydrogenase A chain
    Species: Oryctolagus cuniculus [TaxId:9986]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4i9nc1, d4i9nc2
  • Chain 'D':
    Compound: L-lactate dehydrogenase A chain
    Species: Oryctolagus cuniculus [TaxId:9986]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4i9nd1, d4i9nd2
  • Chain 'E':
    Compound: L-lactate dehydrogenase A chain
    Species: Oryctolagus cuniculus [TaxId:9986]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4i9ne1, d4i9ne2
  • Chain 'F':
    Compound: L-lactate dehydrogenase A chain
    Species: Oryctolagus cuniculus [TaxId:9986]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4i9nf1, d4i9nf2
  • Chain 'G':
    Compound: L-lactate dehydrogenase A chain
    Species: Oryctolagus cuniculus [TaxId:9986]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4i9ng1, d4i9ng2
  • Chain 'H':
    Compound: L-lactate dehydrogenase A chain
    Species: Oryctolagus cuniculus [TaxId:9986]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4i9nh1, d4i9nh2
  • Heterogens: 1E6, 1E5, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4i9nA (A:)
aalkdqlihnllkeehvpqnkitvvgvgavgmacaisilmkdladelalvdvmedklkge
mmdlqhgslflrtpkivsgkdysvtansklviitagarqqegesrlnlvqrnvnifkfii
pnvvkysphckllvvsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
alschgwilgehgdssvpvwsgmnvagvslktlhpelgtdadkeqwkqvhkqvvdsayev
iklkgyttwaiglsvadlaesimknlrrvhpistmlkglygikedvflsvpcvlgqngis
dvvkvtltseeeahlkksadtlwgiqkelqf

    Sequence, based on observed residues (ATOM records): (download) 
    >4i9nA (A:)
aalkdqlihnllkeehvpqnkitvvgvgavgmacaisilmkdladelalvdvmedklkge
mmdlqhgslflrtpkivsgkdysvtansklviitagarlnlvqrnvnifkfiipnvvkys
phckllvvsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhalschgw
ilgehgdssvpvwsgmnvagvslktlhpelgtdadkeqwkqvhkqvvdsayeviklkgyt
twaiglsvadlaesimknlrrvhpistmlkglygikedvflsvpcvlgqngisdvvkvtl
tseeeahlkksadtlwgiqkelqf

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4i9nB (B:)
aalkdqlihnllkeehvpqnkitvvgvgavgmacaisilmkdladelalvdvmedklkge
mmdlqhgslflrtpkivsgkdysvtansklviitagarqqegesrlnlvqrnvnifkfii
pnvvkysphckllvvsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
alschgwilgehgdssvpvwsgmnvagvslktlhpelgtdadkeqwkqvhkqvvdsayev
iklkgyttwaiglsvadlaesimknlrrvhpistmlkglygikedvflsvpcvlgqngis
dvvkvtltseeeahlkksadtlwgiqkelqf

    Sequence, based on observed residues (ATOM records): (download) 
    >4i9nB (B:)
aalkdqlihnllkeehvpqnkitvvgvgavgmacaisilmkdladelalvdvmedklkge
mmdlqhgslflrtpkivsgkdysvtansklviitagarlnlvqrnvnifkfiipnvvkys
phckllvvsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhalschgw
ilgehgdssvpvwsgmnvagvslktlhpelgtdadkeqwkqvhkqvvdsayeviklkgyt
twaiglsvadlaesimknlrrvhpistmlkglygikedvflsvpcvlgqngisdvvkvtl
tseeeahlkksadtlwgiqkelqf

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4i9nC (C:)
aalkdqlihnllkeehvpqnkitvvgvgavgmacaisilmkdladelalvdvmedklkge
mmdlqhgslflrtpkivsgkdysvtansklviitagarqqegesrlnlvqrnvnifkfii
pnvvkysphckllvvsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
alschgwilgehgdssvpvwsgmnvagvslktlhpelgtdadkeqwkqvhkqvvdsayev
iklkgyttwaiglsvadlaesimknlrrvhpistmlkglygikedvflsvpcvlgqngis
dvvkvtltseeeahlkksadtlwgiqkelqf

    Sequence, based on observed residues (ATOM records): (download) 
    >4i9nC (C:)
aalkdqlihnllkeehvpqnkitvvgvgavgmacaisilmkdladelalvdvmedklkge
mmdlqhgslflrtpkivsgkdysvtansklviitagargesrlnlvqrnvnifkfiipnv
vkysphckllvvsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhals
chgwilgehgdssvpvwsgmnvagvslktlhpelgtdadkeqwkqvhkqvvdsayevikl
kgyttwaiglsvadlaesimknlrrvhpistmlkglygikedvflsvpcvlgqngisdvv
kvtltseeeahlkksadtlwgiqkelqf

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4i9nD (D:)
aalkdqlihnllkeehvpqnkitvvgvgavgmacaisilmkdladelalvdvmedklkge
mmdlqhgslflrtpkivsgkdysvtansklviitagarqqegesrlnlvqrnvnifkfii
pnvvkysphckllvvsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
alschgwilgehgdssvpvwsgmnvagvslktlhpelgtdadkeqwkqvhkqvvdsayev
iklkgyttwaiglsvadlaesimknlrrvhpistmlkglygikedvflsvpcvlgqngis
dvvkvtltseeeahlkksadtlwgiqkelqf

  • Chain 'E':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4i9nE (E:)
aalkdqlihnllkeehvpqnkitvvgvgavgmacaisilmkdladelalvdvmedklkge
mmdlqhgslflrtpkivsgkdysvtansklviitagarqqegesrlnlvqrnvnifkfii
pnvvkysphckllvvsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
alschgwilgehgdssvpvwsgmnvagvslktlhpelgtdadkeqwkqvhkqvvdsayev
iklkgyttwaiglsvadlaesimknlrrvhpistmlkglygikedvflsvpcvlgqngis
dvvkvtltseeeahlkksadtlwgiqkelqf

  • Chain 'F':
    Sequence, based on SEQRES records: (download) 
    >4i9nF (F:)
aalkdqlihnllkeehvpqnkitvvgvgavgmacaisilmkdladelalvdvmedklkge
mmdlqhgslflrtpkivsgkdysvtansklviitagarqqegesrlnlvqrnvnifkfii
pnvvkysphckllvvsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
alschgwilgehgdssvpvwsgmnvagvslktlhpelgtdadkeqwkqvhkqvvdsayev
iklkgyttwaiglsvadlaesimknlrrvhpistmlkglygikedvflsvpcvlgqngis
dvvkvtltseeeahlkksadtlwgiqkelqf

    Sequence, based on observed residues (ATOM records): (download) 
    >4i9nF (F:)
aalkdqlihnllkevpqnkitvvgvgavgmacaisilmkdladelalvdvmedklkgemm
dlqhgslflrtpkivsgkdysvtansklviitagarqqegesrlnlvqrnvnifkfiipn
vvkysphckllvvsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhal
schgwilgehgdssvpvwsgmnvagvslktlhpelgtdadkeqwkqvhkqvvdsayevik
lkgyttwaiglsvadlaesimknlrrvhpistmlkglygikedvflsvpcvlgqngisdv
vkvtltseeeahlkksadtlwgiqkelqf

  • Chain 'G':
    Sequence, based on SEQRES records: (download) 
    >4i9nG (G:)
aalkdqlihnllkeehvpqnkitvvgvgavgmacaisilmkdladelalvdvmedklkge
mmdlqhgslflrtpkivsgkdysvtansklviitagarqqegesrlnlvqrnvnifkfii
pnvvkysphckllvvsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
alschgwilgehgdssvpvwsgmnvagvslktlhpelgtdadkeqwkqvhkqvvdsayev
iklkgyttwaiglsvadlaesimknlrrvhpistmlkglygikedvflsvpcvlgqngis
dvvkvtltseeeahlkksadtlwgiqkelqf

    Sequence, based on observed residues (ATOM records): (download) 
    >4i9nG (G:)
aalkdqlihnllkeehvpqnkitvvgvgavgmacaisilmkdladelalvdvmedklkge
mmdlqhgslflrtpkivsgkdysvtansklviitagarqesrlnlvqrnvnifkfiipnv
vkysphckllvvsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhals
chgwilgehgdssvpvwsgmnvagvslktlhpelgtdadkeqwkqvhkqvvdsayevikl
kgyttwaiglsvadlaesimknlrrvhpistmlkglygikedvflsvpcvlgqngisdvv
kvtltseeeahlkksadtlwgiqkelqf

  • Chain 'H':
    Sequence, based on SEQRES records: (download) 
    >4i9nH (H:)
aalkdqlihnllkeehvpqnkitvvgvgavgmacaisilmkdladelalvdvmedklkge
mmdlqhgslflrtpkivsgkdysvtansklviitagarqqegesrlnlvqrnvnifkfii
pnvvkysphckllvvsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
alschgwilgehgdssvpvwsgmnvagvslktlhpelgtdadkeqwkqvhkqvvdsayev
iklkgyttwaiglsvadlaesimknlrrvhpistmlkglygikedvflsvpcvlgqngis
dvvkvtltseeeahlkksadtlwgiqkelqf

    Sequence, based on observed residues (ATOM records): (download) 
    >4i9nH (H:)
aalkdqlihnllkeehvpqnkitvvgvgavgmacaisilmkdladelalvdvmedklkge
mmdlqhgslflrtpkivsgkdysvtansklviitagasrlnlvqrnvnifkfiipnvvky
sphckllvvsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhalschg
wilgehgdssvpvwsgmnvagvslktlhpelgtdadkeqwkqvhkqvvdsayeviklkgy
ttwaiglsvadlaesimknlrrvhpistmlkglygikedvflsvpcvlgqngisdvvkvt
ltseeeahlkksadtlwgiqkelqf