2025-10-25_00000066
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ligand
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9FBE
3-keto-glycoside eliminase/hydratase in komplex with 2-hydroxy-3-keto-glucal;
X-ray diffraction 1.93Å
Protein #1
275 residues (93% resolved)
Raw Sequence ...
MGSAQEEQSANEVAVSYSKSLKAAEMDSLQLPVDADGYITIFDGKTFNGWRGYGKDRVPSKWTIEDGCIKFNGSGGGEAQDGDGGDLIFAHKFKNFELEMEWKVSKGGNSGIFYLAQEVTSKDKDGNDVLEPIYISAPEYQVLDNDNHPDAKLGKDNNRQSASLYDMIPAVPQNAKPFGEWNKAKIMVYKGTVVHGQNDENVLEYHLWTKQWTDLLQASKFSQDKWPLAFELLNNCGGENHEGFIGMQDNGDDVWFRNIRVKVLDAAALEHHHHH
Canonical Sequence ...
MGSAQEEQSANEVAVSYSKSLKAAEMDSLQLPVDADGYITIFDGKTFNGWRGYGKDRVPSKWTIEDGCIKFNGSGGGEAQDGDGGDLIFAHKFKNFELEMEWKVSKGGNSGIFYLAQEVTSKDKDGNDVLEPIYISAPEYQVLDNDNHPDAKLGKDNNRQSASLYDMIPAVPQNAKPFGEWNKAKIMVYKGTVVHGQNDENVLEYHLWTKQWTDLLQASKFSQDKWPLAFELLNNCGGENHEGFIGMQDNGDDVWFRNIRVKVLDAAALEHHHHH
Non polymer #2
A1IBU
InChI=1S/C6H8O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2,4,6-8,10H,1H2/t4-,6-/m1/s1
InChI=1S/C6H8O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2,4,6-8,10H,1H2/t4-,6-/m1/s1
SMILES: C1=C(C(=O)[C@@H]([C@H](O1)CO)O)O
C1=C(C(=O)[C@@H]([C@H](O1)CO)O)O
Non polymer #3
CA
InChI=1S/Ca/q+2
InChI=1S/Ca/q+2
SMILES: [Ca+2]
[Ca+2]
Non polymer #4
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Non polymer #5
GLC
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
Biounit #1
homo-dimer
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Model
Reference
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