2024-07-20_00000166
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ligand
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8TFW
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, boronic acid-based compound N34 bound;
X-ray diffraction 1.93Å
Protein #1
279 residues (99% resolved)
Raw Sequence ...
GPGMETLELQGAKLRYHQVGQGPVLIFIPGANGTGDIFLPLAEQLKDHFTVVAVDRRDYGESELTEPLPDSASNPDSDYRVKRDAQDIAELAKSLSDEPVYILGSSSGSIVAMHVLKDYPEVVKKIAFHEPPINTFLPDSTYWKDKNDDIVHQILTEGLEKGMKTFGETLNIAPIDAKMMSQPADTEEGRIEQYKRTMFWLEFEIRQYTHSNITLDDFTKYSDKITLLNGTDSRGSFPQDVNFYINKETGIPIVDIPGGHLGYIQKPEGFADVLLNMWG
Canonical Sequence ...
GPGMETLELQGAKLRYHQVGQGPVLIFIPGANGTGDIFLPLAEQLKDHFTVVAVDRRDYGESELTEPLPDSASNPDSDYRVKRDAQDIAELAKSLSDEPVYILGSSSGSIVAMHVLKDYPEVVKKIAFHEPPINTFLPDSTYWKDKNDDIVHQILTEGLEKGMKTFGETLNIAPIDAKMMSQPADTEEGRIEQYKRTMFWLEFEIRQYTHSNITLDDFTKYSDKITLLNGTDSRGSFPQDVNFYINKETGIPIVDIPGGHLGYIQKPEGFADVLLNMWG
Non polymer #2
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Non polymer #3
ZKR
InChI=1S/C5H4BF3O2S/c7-5(8,9)3-1-2-4(12-3)6(10)11/h1-2,10-11H
InChI=1S/C5H4BF3O2S/c7-5(8,9)3-1-2-4(12-3)6(10)11/h1-2,10-11H
SMILES: B(c1ccc(s1)C(F)(F)F)(O)O
B(c1ccc(s1)C(F)(F)F)(O)O
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
100%