2025-03-08_00000208
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ligand
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9DRO
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, Oxadiazolone-peptide bound;
X-ray diffraction 1.54Å
Protein #1
279 residues (99% resolved)
Raw Sequence ...
GPGMETLELQGAKLRYHQVGQGPVLIFIPGANGTGDIFLPLAEQLKDHFTVVAVDRRDYGESELTEPLPDSASNPDSDYRVKRDAQDIAELAKSLSDEPVYILGSSSGSIVAMHVLKDYPEVVKKIAFHEPPINTFLPDSTYWKDKNDDIVHQILTEGLEKGMKTFGETLNIAPIDAKMMSQPADTEEGRIEQYKRTMFWLEFEIRQYTHSNITLDDFTKYSDKITLLNGTDSRGSFPQDVNFYINKETGIPIVDIPGGHLGYIQKPEGFADVLLNMWG
Canonical Sequence ...
GPGMETLELQGAKLRYHQVGQGPVLIFIPGANGTGDIFLPLAEQLKDHFTVVAVDRRDYGESELTEPLPDSASNPDSDYRVKRDAQDIAELAKSLSDEPVYILGSSSGSIVAMHVLKDYPEVVKKIAFHEPPINTFLPDSTYWKDKNDDIVHQILTEGLEKGMKTFGETLNIAPIDAKMMSQPADTEEGRIEQYKRTMFWLEFEIRQYTHSNITLDDFTKYSDKITLLNGTDSRGSFPQDVNFYINKETGIPIVDIPGGHLGYIQKPEGFADVLLNMWG
Non polymer #2
A1BA1
InChI=1S/C9H10N2O3/c1-14-9(13)10-11(7-12)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,13)
InChI=1S/C9H10N2O3/c1-14-9(13)10-11(7-12)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,13)
SMILES: COC(=O)NN(C=O)c1ccccc1
COC(=O)NN(C=O)c1ccccc1
Non polymer #3
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
100%