7KX5

Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with noncovalent inhibitor Jun8-76-3A

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0008233	molecular_function	peptidase activity
A	0019082	biological_process	viral protein processing

Functional Information from PDB Data

site_id	AC1
Number of Residues	20
Details	binding site for residue X7V A 401

Chain	Residue
A	THR26
A	GLY143
A	SER144
A	CYS145
A	HIS163
A	HIS164
A	MET165
A	GLU166
A	ASP187
A	ARG188
A	GLN189
A	LEU27
A	PRO252
A	HIS41
A	CYS44
A	MET49
A	TYR54
A	PHE140
A	LEU141
A	ASN142

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site_id	AC2
Number of Residues	5
Details	binding site for residue GOL A 402

Chain	Residue
A	GLN74
A	LEU75
A	ARG76
A	ARG222
A	THR224

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site_id	AC3
Number of Residues	4
Details	binding site for residue GOL A 403

Chain	Residue
A	GLY15
A	MET17
A	ASN95
A	LYS97

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772, ECO:0000305|PubMed:32198291

Chain	Residue	Details
A	HIS41

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site_id	SWS_FT_FI2
Number of Residues	1
Details	ACT_SITE: Nucleophile; for 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772, ECO:0000269|PubMed:32198291

Chain	Residue	Details
A	CYS145

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site_id	SWS_FT_FI3
Number of Residues	1
Details	SITE: Cleavage; by 3CL-PRO => ECO:0000250|UniProtKB:P0C6V3

Chain	Residue	Details
A	GLN306

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