2025-03-15_00000125
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ligand
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8YVS
Crystal structure of GH65 alpha-1,2-glucosidase from Flavobacterium johnsoniae in complex with castanospermine;
X-ray diffraction 1.60Å
Protein #1
678 residues (97% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSHQDPWKLSADKPDSNNYYGETVANGMIGIISSPEPLKVKEVVLAGTYDIYKRGRVSSFIPNYNLLNMKLAFNGESVQTYNINNYKQELDMRNGAFTGSFQFKDLATVTYSYYALRHLPHCIMMVVNINTQKDTEINVENLLETPSSLNNQQNYFQNITNTHVNIPLLTSVAFTPTGRSKIAVSNTFLFDEGKKLQPEILHRMNDADMHAMSFDKKIKAGKTYSFALIGSLISSDHINDPYNEAERLTIYAALEGKSRLLNRHMQEWNSLWQSDIQVEGDPQAQQDIRSMLYHLYSFTRKSTSLSPSPMGLSGLGYNGHVFWDTEIWMFPPMLLLHPEIAKSMIEYRYQRLDAARKKAAIYGYDGAMFPWESADSGAEETPVNALTGAFEHHVTGDVAIAAWQYYLVTGDKEWLKEKGWPILKATAEFWASRVEKNDKGEYEIKNVVAADEWAENIDNNAYTNGTAIRNLQYASKCATVLGVIAPKEWTLIADKILISKMSNGVTREHDSYTDQNIKQADANLLAYPLKLITDKEQIERDLKYYQTKIPQSDTPAMTQAIFSLLYSRLEDSDQAYHWFKDAYQPNLNPPFRVISECKGGTNPYFSTGAGGVLQAVIMGFGGLDIDAAGGIKQVKSVLPKNWKKLTITGIGIEKKTFVLTH
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSHQDPWKLSADKPDSNNYYGETVANGMIGIISSPEPLKVKEVVLAGTYDIYKRGRVSSFIPNYNLLNMKLAFNGESVQTYNINNYKQELDMRNGAFTGSFQFKDLATVTYSYYALRHLPHCIMMVVNINTQKDTEINVENLLETPSSLNNQQNYFQNITNTHVNIPLLTSVAFTPTGRSKIAVSNTFLFDEGKKLQPEILHRMNDADMHAMSFDKKIKAGKTYSFALIGSLISSDHINDPYNEAERLTIYAALEGKSRLLNRHMQEWNSLWQSDIQVEGDPQAQQDIRSMLYHLYSFTRKSTSLSPSPMGLSGLGYNGHVFWDTEIWMFPPMLLLHPEIAKSMIEYRYQRLDAARKKAAIYGYDGAMFPWESADSGAEETPVNALTGAFEHHVTGDVAIAAWQYYLVTGDKEWLKEKGWPILKATAEFWASRVEKNDKGEYEIKNVVAADEWAENIDNNAYTNGTAIRNLQYASKCATVLGVIAPKEWTLIADKILISKMSNGVTREHDSYTDQNIKQADANLLAYPLKLITDKEQIERDLKYYQTKIPQSDTPAMTQAIFSLLYSRLEDSDQAYHWFKDAYQPNLNPPFRVISECKGGTNPYFSTGAGGVLQAVIMGFGGLDIDAAGGIKQVKSVLPKNWKKLTITGIGIEKKTFVLTH
Non polymer #2
CTS
InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1
InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1
SMILES: C1C[N@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O
C1C[N@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O
Non polymer #3
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-hexamer
Download coordinates
Tube
Model
Reference
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