7JU7

The crystal structure of SARS-CoV-2 Main Protease in complex with masitinib

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	16
Details	binding site for residue G65 A 401

Chain	Residue
A	THR24
A	ASN142
A	CYS145
A	HIS163
A	HIS164
A	MET165
A	GLU166
A	HOH518
A	THR25
A	HIS41
A	CYS44
A	THR45
A	SER46
A	MET49
A	PHE140
A	LEU141

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site_id	AC2
Number of Residues	4
Details	binding site for residue DMS A 402

Chain	Residue
A	ASN84
A	CYS85
A	GOL403
A	HOH537

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

Chain	Residue
A	ARG40
A	PRO52
A	ASN53
A	TYR54
A	GLU55
A	DMS402

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site_id	AC4
Number of Residues	8
Details	binding site for residue GOL A 404

Chain	Residue
A	MET165
A	GLU166
A	ARG188
A	GLN189
A	THR190
A	GLN192
A	HOH528
A	HOH603

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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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