7JFQ

The crystal structure of 3CL MainPro of SARS-CoV-2 with de-oxidized C145

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	4
Details	binding site for residue EDO A 401

Chain	Residue
A	GLY215
A	ASP216
A	ARG217
A	TRP218

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site_id	AC2
Number of Residues	7
Details	binding site for residue FMT A 402

Chain	Residue
A	HOH503
A	HOH550
A	MET17
A	GLN69
A	GLY71
A	GLY120
A	EDO403

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site_id	AC3
Number of Residues	6
Details	binding site for residue EDO A 403

Chain	Residue
A	GLY15
A	MET17
A	ALA70
A	GLY71
A	FMT402
A	HOH536

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site_id	AC4
Number of Residues	2
Details	binding site for residue FMT A 404

Chain	Residue
A	LYS102
A	PHE103

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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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site_id	SWS_FT_FI4
Number of Residues	3
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:39223933

Chain	Residue	Details
A	LYS5
A	LYS90

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