2026-01-17_00000284
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ligand
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9PV6
SARS-CoV-2 Papain-like Protease (PLpro) in complex with Fragment 37;
X-ray diffraction 1.45Å
Protein #1
326 residues (96% resolved)
Raw Sequence ...
MREVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNSYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQSGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIKPLEHHHHHH
Canonical Sequence ...
MREVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNSYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQSGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIKPLEHHHHHH
Non polymer #2
A1CLN
InChI=1S/C26H27N3O2/c1-18-15-20(8-12-27-18)22-6-7-23-24(30)16-26(31-25(23)19(22)2)9-13-29(14-10-26)17-21-5-3-4-11-28-21/h3-8,11-12,15H,9-10,13-14,16-17H2,1-2H3
InChI=1S/C26H27N3O2/c1-18-15-20(8-12-27-18)22-6-7-23-24(30)16-26(31-25(23)19(22)2)9-13-29(14-10-26)17-21-5-3-4-11-28-21/h3-8,11-12,15H,9-10,13-14,16-17H2,1-2H3
SMILES: Cc1cc(ccn1)c2ccc3c(c2C)OC4(CCN(CC4)Cc5ccccn5)CC3=O
Cc1cc(ccn1)c2ccc3c(c2C)OC4(CCN(CC4)Cc5ccccn5)CC3=O
Non polymer #3
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 #4
NA
InChI=1S/Na/q+1
InChI=1S/Na/q+1
SMILES: [Na+]
[Na+]
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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Model
Reference
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