Structure of PDB 9brw Chain A Binding Site BS02

Receptor Information
>9brw Chain A (length=317) Species: 2697049 (Severe acute respiratory syndrome coronavirus 2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
REVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNS
HEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVN
GLTSIKWADNNSYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCA
LILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTL
KGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPA
QYELKHGTFTCASEYTGNYQSGHYKHITSKETLYCIDGALLTKSSEYKGP
ITDVFYKENSYTTTIKP
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain9brw Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB9brw Fragment-Based Screen of SARS-CoV-2 Papain-like Protease (PLpro)
Resolution2.5 Å
Binding residue
(original residue number in PDB)		C189 C224 C226
Binding residue
(residue number reindexed from 1)		C190 C225 C227
Annotation score1
External links
PDB RCSB:9brw, PDBe:9brw, PDBj:9brw
PDBsum9brw
PubMed39140055
UniProtP0DTC1|R1A_SARS2 Replicase polyprotein 1a

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