2024-11-30_00000160
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ligand
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8YX5
Crystal Structure of SARS CoV-2 Papain-like Protease PLpro-C111S in Complex with GZNL-P35;
X-ray diffraction 1.74Å
Protein #1
316 residues (99% resolved)
Raw Sequence ...
GEVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNSYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIK
Canonical Sequence ...
GEVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNSYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIK
Non polymer #2
A1LZ8
InChI=1S/C28H28N4O2/c1-16-6-7-19(32-14-17-12-18(15-32)29-17)13-22(16)26(33)30-28(10-11-28)23-8-9-24-25-20(23)4-3-5-21(25)27(34)31(24)2/h3-9,13,17-18,29H,10-12,14-15H2,1-2H3,(H,30,33)/t17-,18+
InChI=1S/C28H28N4O2/c1-16-6-7-19(32-14-17-12-18(15-32)29-17)13-22(16)26(33)30-28(10-11-28)23-8-9-24-25-20(23)4-3-5-21(25)27(34)31(24)2/h3-9,13,17-18,29H,10-12,14-15H2,1-2H3,(H,30,33)/t17-,18+
SMILES: Cc1ccc(cc1C(=O)NC2(CC2)c3ccc4c5c3cccc5C(=O)N4C)N6C[C@H]7C[C@@H](C6)N7
Cc1ccc(cc1C(=O)NC2(CC2)c3ccc4c5c3cccc5C(=O)N4C)N6C[C@H]7C[C@@H](C6)N7
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
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