2026-01-17_00000285
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ligand
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9PV9
SARS-CoV-2 Papain-like Protease (PLpro) in complex with Fragment 46;
X-ray diffraction 2.00Å
Protein #1
326 residues (96% resolved)
Raw Sequence ...
MREVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNSYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQSGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIKPLEHHHHHH
Canonical Sequence ...
MREVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNSYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQSGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIKPLEHHHHHH
Non polymer #2
A1CLP
InChI=1S/C31H39N5O/c1-23-21-26(10-14-32-23)28-8-7-25-9-11-31(37-30(25)24(28)2)12-15-35(16-13-31)22-27-5-4-6-29(33-27)36-19-17-34(3)18-20-36/h4-8,10,14,21H,9,11-13,15-20,22H2,1-3H3
InChI=1S/C31H39N5O/c1-23-21-26(10-14-32-23)28-8-7-25-9-11-31(37-30(25)24(28)2)12-15-35(16-13-31)22-27-5-4-6-29(33-27)36-19-17-34(3)18-20-36/h4-8,10,14,21H,9,11-13,15-20,22H2,1-3H3
SMILES: Cc1cc(ccn1)c2ccc3c(c2C)OC4(CC3)CCN(CC4)Cc5cccc(n5)N6CCN(CC6)C
Cc1cc(ccn1)c2ccc3c(c2C)OC4(CC3)CCN(CC4)Cc5cccc(n5)N6CCN(CC6)C
Non polymer #3
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
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Model
Reference
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