2026-04-18_00000296
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ligand
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9UJ5
Crystal structure of SME-1 E166A in complex with cefprozil;
X-ray diffraction 2.30Å
Protein #1
275 residues (97% resolved)
Raw Sequence ...
MGNKSDAAAKQIKKLEEDFDGRIGVFAIDTGSGNTFGYRSDERFPLCSSFKGFLAAAVLERVQQKKLDINQKVKYESRDLEYHSPITTKYKGSGMTLGDMASAALQYSDNGATNIIMERFLGGPEGMTKFMRSIGDNEFRLDRWALELNTAIPGDKRDTSTPKAVANSLNKLALGNVLNAKVKAIYQNWLKGNTTGDARIRASVPADWVVGDKTGSCGAYGTANDYAVIWPKNRAPLIVSIYTTRKSKDDKHSDKTIAEASRIAIQAIDHHHHHH
Canonical Sequence ...
MGNKSDAAAKQIKKLEEDFDGRIGVFAIDTGSGNTFGYRSDERFPLCSSFKGFLAAAVLERVQQKKLDINQKVKYESRDLEYHSPITTKYKGSGMTLGDMASAALQYSDNGATNIIMERFLGGPEGMTKFMRSIGDNEFRLDRWALELNTAIPGDKRDTSTPKAVANSLNKLALGNVLNAKVKAIYQNWLKGNTTGDARIRASVPADWVVGDKTGSCGAYGTANDYAVIWPKNRAPLIVSIYTTRKSKDDKHSDKTIAEASRIAIQAIDHHHHHH
Non polymer #2
A1L87
InChI=1S/C18H21N3O5S/c1-2-3-11-9-27-17(21-15(11)18(25)26)13(8-22)20-16(24)14(19)10-4-6-12(23)7-5-10/h3-8,13-14,17,23H,2,9,19H2,1H3,(H,20,24)(H,25,26)/b11-3+/t13-,14+,17+/m1/s1
InChI=1S/C18H21N3O5S/c1-2-3-11-9-27-17(21-15(11)18(25)26)13(8-22)20-16(24)14(19)10-4-6-12(23)7-5-10/h3-8,13-14,17,23H,2,9,19H2,1H3,(H,20,24)(H,25,26)/b11-3+/t13-,14+,17+/m1/s1
SMILES: CC/C=C/1\CS[C@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)[C@H](c2ccc(cc2)O)N
CC/C=C/1\CS[C@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)[C@H](c2ccc(cc2)O)N
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
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
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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