2026-09-05_00000276|ligand|9WOM

The crystal structure of wild-type Papain-Like Protease of SARS-CoV-2 with TDI-015937-NX-2; X-ray diffraction 2.56Å
Protein #1 316 residues (100% resolved)

SEVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNCYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIK

SEVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNCYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIK
Non polymer #2 A1MB2

InChI=1S/C24H29N5O/c1-17-9-10-21(28-13-11-25-12-14-28)15-22(17)26-24(30)19(3)29-16-18(2)23(27-29)20-7-5-4-6-8-20/h4-10,15-16,19,25H,11-14H2,1-3H3,(H,26,30)/t19-/m1/s1

Cc1ccc(cc1NC(=O)[C@@H](C)n2cc(c(n2)c3ccccc3)C)N4CCNCC4
Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
Non polymer #4 EDO

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

C(CO)O
Non polymer #5 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference