2026-01-17_00000283
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ligand
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9PUY
SARS-CoV-2 Papain-like Protease (PLpro) in complex with Fragment 27;
X-ray diffraction 1.75Å
Protein #1
326 residues (98% resolved)
Raw Sequence ...
MREVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNSYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQSGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIKPLEHHHHHH
Canonical Sequence ...
MREVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNSYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQSGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIKPLEHHHHHH
Non polymer #2
A1CLD
InChI=1S/C21H24N2O2/c1-15-6-7-18-19(24)13-21(25-20(18)16(15)2)8-11-23(12-9-21)14-17-5-3-4-10-22-17/h3-7,10H,8-9,11-14H2,1-2H3
InChI=1S/C21H24N2O2/c1-15-6-7-18-19(24)13-21(25-20(18)16(15)2)8-11-23(12-9-21)14-17-5-3-4-10-22-17/h3-7,10H,8-9,11-14H2,1-2H3
SMILES: Cc1ccc2c(c1C)OC3(CCN(CC3)Cc4ccccn4)CC2=O
Cc1ccc2c(c1C)OC3(CCN(CC3)Cc4ccccn4)CC2=O
Non polymer #3
K
InChI=1S/K/q+1
InChI=1S/K/q+1
SMILES: [K+]
[K+]
Non polymer #4
PO4
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
SMILES: [O-]P(=O)([O-])[O-]
[O-]P(=O)([O-])[O-]
Non polymer #5
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
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Biounit #2
monomer
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Biounit #3
monomer
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Biounit #4
monomer
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