2024-04-27_00000218
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ligand
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8VG5
Crystal Structure of V113N Variant of D-Dopachrome Tautomerase (D-DT) Bound with 4CPPC;
X-ray diffraction 1.50Å
Protein #1
117 residues (100% resolved)
Raw Sequence ...
PFLELDTNLPANRVPAGLEKRLCAAAASILGKPADRVNVTVRPGLAMALSGSTEPCAQLSISSIGVVGTAEDNRSHSAHFFEFLTKELALGQDRILIRFFPLESWQIGKIGTNMTFL
Canonical Sequence ...
PFLELDTNLPANRVPAGLEKRLCAAAASILGKPADRVNVTVRPGLAMALSGSTEPCAQLSISSIGVVGTAEDNRSHSAHFFEFLTKELALGQDRILIRFFPLESWQIGKIGTNMTFL
Non polymer #2
7L9
InChI=1S/C14H9NO6/c16-12(17)8-3-1-2-7(4-8)9-5-11(14(20)21)15-6-10(9)13(18)19/h1-6H,(H,16,17)(H,18,19)(H,20,21)
InChI=1S/C14H9NO6/c16-12(17)8-3-1-2-7(4-8)9-5-11(14(20)21)15-6-10(9)13(18)19/h1-6H,(H,16,17)(H,18,19)(H,20,21)
SMILES: c1cc(cc(c1)C(=O)O)c2cc(ncc2C(=O)O)C(=O)O
c1cc(cc(c1)C(=O)O)c2cc(ncc2C(=O)O)C(=O)O
Non polymer #3
CIT
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
SMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)O
C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Biounit #1
homo-trimer
Download coordinates
Biounit #2
homo-trimer
Download coordinates
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Model
Reference
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