2024-12-14_00000328|ligand|8YAK

Cryo-EM structure and rational engineering of a novel efficient ochratoxin A-detoxifying amidohydrolase; Electron microscopy 2.37Å
Protein #1 408 residues (98% resolved)

EPVALHCGKLFDARSGRVLGPHTVVVRDGRIDQLISGGHADVVGLAAVDLRNRTCLPGWTDLHVHLGDESSPQSYSEGFRLDPIDFAYRSVGYAERTLLAGFTSVRDLGGEVSPHLRDAVNQGLVKGPRIFAAGKSIATTGGHADPTNGWNDQLSHLIGPPGPTEGVVNSVDEARQAVRQRYKDGSDVI(KCX)ITATGGVLSYAKSGDAPQFTVDEVKAIVDTANDYGYKVAAHAHGTEGMKRAILGGVTSIEHGTYMTDEVMRLMKQHGTWYVPTISAGRFVAEKAKIDGYFPEVVRPKAARIGAQIQDTAAKAYRNGVKIAFGTNMGVGPHGDNAREFIYMVEAGIPAATALQSATVLAAEVLGVDDQGAIETGKRADIIAMPGDPVADINAVLNVDFVMKDGEIFRQP

EPVALHCGKLFDARSGRVLGPHTVVVRDGRIDQLISGGHADVVGLAAVDLRNRTCLPGWTDLHVHLGDESSPQSYSEGFRLDPIDFAYRSVGYAERTLLAGFTSVRDLGGEVSPHLRDAVNQGLVKGPRIFAAGKSIATTGGHADPTNGWNDQLSHLIGPPGPTEGVVNSVDEARQAVRQRYKDGSDVIKITATGGVLSYAKSGDAPQFTVDEVKAIVDTANDYGYKVAAHAHGTEGMKRAILGGVTSIEHGTYMTDEVMRLMKQHGTWYVPTISAGRFVAEKAKIDGYFPEVVRPKAARIGAQIQDTAAKAYRNGVKIAFGTNMGVGPHGDNAREFIYMVEAGIPAATALQSATVLAAEVLGVDDQGAIETGKRADIIAMPGDPVADINAVLNVDFVMKDGEIFRQP
Non polymer #2 97U

InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1

C[C@@H]1Cc2c(cc(c(c2C(=O)O1)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)Cl
Non polymer #3 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference