2026-09-05_00000275|ligand|9WOL

The crystal structure of wild-type Papain-Like Protease of SARS-CoV-2 with TDI-016399-NX-1; X-ray diffraction 2.11Å
Protein #1 316 residues (100% resolved)

SEVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNCYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIK

SEVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNCYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIK
Non polymer #2 A1MB1

InChI=1S/C23H27N5O/c1-17-8-9-21(27-12-10-24-11-13-27)14-22(17)26-23(29)18(2)28-16-20(15-25-28)19-6-4-3-5-7-19/h3-9,14-16,18,24H,10-13H2,1-2H3,(H,26,29)/t18-/m1/s1

Cc1ccc(cc1NC(=O)[C@@H](C)n2cc(cn2)c3ccccc3)N4CCNCC4
Non polymer #3 EDO

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

C(CO)O
Non polymer #4 TAR

InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1

[C@H]([C@@H](C(=O)O)O)(C(=O)O)O
Non polymer #5 ZN

InChI=1S/Zn/q+2

[Zn+2]
Download coordinates
Reference