2024-07-27_00000209
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ligand
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9BRV
SARS-CoV-2 Papain-like Protease (PLpro) with Fragment 5;
X-ray diffraction 2.60Å
Protein #1
321 residues (99% resolved)
Raw Sequence ...
GSHMREVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNSYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQSGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIKP
Canonical Sequence ...
GSHMREVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNSYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQSGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIKP
Non polymer #2
A1ASK
InChI=1S/C12H19N3S/c1-10-5-4-6-11(9-10)14-12(16)13-7-8-15(2)3/h4-6,9H,7-8H2,1-3H3,(H2,13,14,16)
InChI=1S/C12H19N3S/c1-10-5-4-6-11(9-10)14-12(16)13-7-8-15(2)3/h4-6,9H,7-8H2,1-3H3,(H2,13,14,16)
SMILES: Cc1cccc(c1)NC(=S)NCCN(C)C
Cc1cccc(c1)NC(=S)NCCN(C)C
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #4
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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