2024-11-30_00000157
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ligand
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8YX2
Crystal Structure of SARS CoV-2 Papain-like Protease PLpro-C111S in Complex with GZNL-P4;
X-ray diffraction 2.31Å
Protein #1
316 residues (99% resolved)
Raw Sequence ...
GEVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNSYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIK
Canonical Sequence ...
GEVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNSYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIK
Non polymer #2
A1LZ5
InChI=1S/C28H31N3O/c1-19-6-10-22(31-16-14-30(2)15-17-31)18-24(19)27(32)29-28(12-13-28)25-11-9-21-8-7-20-4-3-5-23(25)26(20)21/h3-6,9-11,18H,7-8,12-17H2,1-2H3,(H,29,32)
InChI=1S/C28H31N3O/c1-19-6-10-22(31-16-14-30(2)15-17-31)18-24(19)27(32)29-28(12-13-28)25-11-9-21-8-7-20-4-3-5-23(25)26(20)21/h3-6,9-11,18H,7-8,12-17H2,1-2H3,(H,29,32)
SMILES: Cc1ccc(cc1C(=O)NC2(CC2)c3ccc4c5c3cccc5CC4)N6CCN(CC6)C
Cc1ccc(cc1C(=O)NC2(CC2)c3ccc4c5c3cccc5CC4)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
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%