2025-10-18_00000114
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ligand
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8YHM
The structure of SdnG covalently binding with the cope rearrangement product;
X-ray diffraction 1.72Å
Protein #1
146 residues (90% resolved)
Raw Sequence ...
MAGKEIQTPDQAEAFVAKVFDVLDSYDYTRFGEVLSTDLKYEGGLQKTSGLDNFINDIKASTQRMPGLQTSHSRYRTELTAEGTIYSEGHSNASLESNPGKVVTVPMIGVFKLDSEDGKIKEMRIYKDRLPFLALHQALPGMKANN
Canonical Sequence ...
MAGKEIQTPDQAEAFVAKVFDVLDSYDYTRFGEVLSTDLKYEGGLQKTSGLDNFINDIKASTQRMPGLQTSHSRYRTELTAEGTIYSEGHSNASLESNPGKVVTVPMIGVFKLDSEDGKIKEMRIYKDRLPFLALHQALPGMKANN
Non polymer #2
A1LZG
InChI=1S/C20H30O3/c1-11(2)16-8-14-7-13(10-21)15-6-5-12(3)17(15)9-20(14,4)18(16)19(22)23/h10-15,17H,5-9H2,1-4H3,(H,22,23)/t12-,13+,14-,15+,17-,20-/m1/s1
InChI=1S/C20H30O3/c1-11(2)16-8-14-7-13(10-21)15-6-5-12(3)17(15)9-20(14,4)18(16)19(22)23/h10-15,17H,5-9H2,1-4H3,(H,22,23)/t12-,13+,14-,15+,17-,20-/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@H](C[C@H]2C=O)CC(=C3C(=O)O)C(C)C)C
C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@H](C[C@H]2C=O)CC(=C3C(=O)O)C(C)C)C
Non polymer #3
MPD
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
SMILES: C[C@@H](CC(C)(C)O)O
C[C@@H](CC(C)(C)O)O
Biounit #1
homo-dimer
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Model
Reference
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