2026-09-05_00000276
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ligand
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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)
Raw Sequence ...
SEVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNCYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIK
Canonical Sequence ...
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
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
SMILES: Cc1ccc(cc1NC(=O)[C@@H](C)n2cc(c(n2)c3ccccc3)C)N4CCNCC4
Cc1ccc(cc1NC(=O)[C@@H](C)n2cc(c(n2)c3ccccc3)C)N4CCNCC4
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #4
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Non polymer #5
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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