2026-09-05_00000277|ligand|9WON

The crystal structure of wild-type Papain-Like Protease of SARS-CoV-2 with TDI-016675-CL-1; X-ray diffraction 1.89Å
Protein #1 316 residues (100% resolved)

SEVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNCYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIK

SEVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNCYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIK
Non polymer #2 A1MB3

InChI=1S/C26H30N6O3S/c1-4-24(25(33)29-23-15-21(8-5-18(23)2)31-13-11-28-12-14-31)32-17-19(3)26(30-32)36(34,35)22-9-6-20(16-27)7-10-22/h5-10,15,17,24,28H,4,11-14H2,1-3H3,(H,29,33)/t24-/m1/s1

CC[C@H](C(=O)Nc1cc(ccc1C)N2CCNCC2)n3cc(c(n3)S(=O)(=O)c4ccc(cc4)C#N)C
Non polymer #3 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
Non polymer #4 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference