2024-08-03_00000145
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ligand
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8RR2
3-keto-glycoside eliminase/hydratase in komplex with alpha-3-keto-glucose;
X-ray diffraction 1.74Å
Protein #1
276 residues (92% resolved)
Raw Sequence ...
MGSAQEEQSANEVAVSYSKSLKAAEMDSLQLPVDADGYITIFDGKTFNGWRGYGKDRVPSKWTIEDGCIKFNGSGGGEAQDGDGGDLIFAHKFKNFELEMEWKVSKGGNSGIFYLAQEVTSKDKDGNDVLEPIYISAPEYQVLDNDNHPDAKLGKDNNRQSASLYDMIPAVPQNAKPFGEWNKAKIMVYKGTVVHGQNDENVLEYHLWTKQWTDLLQASKFSQDKWPLAFELLNNCGGENHEGFIGMQDHGDDVWFRNIRVKVLDAAALEHHHHHH
Canonical Sequence ...
MGSAQEEQSANEVAVSYSKSLKAAEMDSLQLPVDADGYITIFDGKTFNGWRGYGKDRVPSKWTIEDGCIKFNGSGGGEAQDGDGGDLIFAHKFKNFELEMEWKVSKGGNSGIFYLAQEVTSKDKDGNDVLEPIYISAPEYQVLDNDNHPDAKLGKDNNRQSASLYDMIPAVPQNAKPFGEWNKAKIMVYKGTVVHGQNDENVLEYHLWTKQWTDLLQASKFSQDKWPLAFELLNNCGGENHEGFIGMQDHGDDVWFRNIRVKVLDAAALEHHHHHH
Non polymer #2
A1H2X
InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-3,5-8,10-11H,1H2/t2-,3+,5+,6+/m1/s1
InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-3,5-8,10-11H,1H2/t2-,3+,5+,6+/m1/s1
SMILES: C([C@@H]1[C@H](C(=O)[C@H]([C@H](O1)O)O)O)O
C([C@@H]1[C@H](C(=O)[C@H]([C@H](O1)O)O)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
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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