2025-12-20_00000347|ligand|9XV1

Crystal Structure of Fructose-1,6-bisphosphatase Complexed with a Covalent Inhibitor; X-ray diffraction 1.96Å
Protein #1 336 residues (97% resolved)

MADQAPFDTDVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAVRKAGIAHLYGIAGSTNVTGDQVKKLDVLSNDLVMNMLKSSFATCVLVSEEDKHAIIVEPEKRGKYVVCFDPLDGSSNIDCLVSVGTIFGIYRKKSTDEPSEKDALQPGRNLVAAGYALYGSATMLVLAMDCGVNCFMLDPAIGEFILVDKDVKIKKKGKIYSLNEGYAKDFDPAVTEYIQRKKFPPDNSAPYGARYVGSMVADVHRTLVYGGIFLYPANKKSPNGKLRLLYECNPMAYVMEKAGGMATTGKEAVLDVIPTDIHQRAPVILGSPDDVLEFLKVYEKHS

MADQAPFDTDVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAVRKAGIAHLYGIAGSTNVTGDQVKKLDVLSNDLVMNMLKSSFATCVLVSEEDKHAIIVEPEKRGKYVVCFDPLDGSSNIDCLVSVGTIFGIYRKKSTDEPSEKDALQPGRNLVAAGYALYGSATMLVLAMDCGVNCFMLDPAIGEFILVDKDVKIKKKGKIYSLNEGYAKDFDPAVTEYIQRKKFPPDNSAPYGARYVGSMVADVHRTLVYGGIFLYPANKKSPNGKLRLLYECNPMAYVMEKAGGMATTGKEAVLDVIPTDIHQRAPVILGSPDDVLEFLKVYEKHS
Non polymer #2 A1E1G

InChI=1S/C23H22BrN3O4S/c24-16-22(28)25-14-13-17-9-11-21(12-10-17)32(30,31)27-23(29)26-20-8-4-7-19(15-20)18-5-2-1-3-6-18/h1-12,15H,13-14,16H2,(H,25,28)(H2,26,27,29)

c1ccc(cc1)c2cccc(c2)NC(=O)NS(=O)(=O)c3ccc(cc3)CCNC(=O)CBr
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Reference