2026-01-24_00000366|ligand|9Z6B

Crystal structure of SARS-CoV-2 PLpro in complex with compound 10; X-ray diffraction 2.70Å
Protein #1 319 residues (100% resolved)

AEVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNCYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIKPVT

AEVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNCYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIKPVT
Non polymer #2 A1C09

InChI=1S/C27H36N4O4/c1-19(22-10-5-8-20-7-3-4-9-23(20)22)31-15-12-21(13-16-31)24(17-28)27(34)30-18-25(32)29-14-6-11-26(33)35-2/h3-5,7-10,18-19,21,24H,6,11-17,28H2,1-2H3,(H,29,32)/b30-18+/t19-,24-/m1/s1

C[C@H](c1cccc2c1cccc2)N3CCC(CC3)[C@@H](CN)C(=O)/N=C/C(=O)NCCCC(=O)OC
Non polymer #3 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference