7AXM

Structure of SARS-CoV-2 Main Protease bound to Pelitinib

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	6
Details	binding site for residue DMS A 501

Chain	Residue
A	PHE140
A	LEU141
A	ASN142
A	HIS163
A	MET165
A	GLU166

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site_id	AC2
Number of Residues	13
Details	binding site for residue 93J A 502

Chain	Residue
A	ASN142
A	ASN142
A	GLY143
A	ILE213
A	LEU253
A	GLN256
A	CYS300
A	SER301
A	HOH667
A	HOH880
A	THR26
A	TYR118
A	ASN119

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site_id	AC3
Number of Residues	8
Details	binding site for residue DMS A 503

Chain	Residue
A	GLN74
A	LEU75
A	ARG76
A	PHE223
A	THR224
A	ASP263
A	HOH684
A	HOH687

---

site_id	AC4
Number of Residues	4
Details	binding site for residue DMS A 504

Chain	Residue
A	GLY15
A	MET17
A	LYS97
A	HOH739

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site_id	AC5
Number of Residues	5
Details	binding site for residue DMS A 505

Chain	Residue
A	MET6
A	PHE8
A	SER123
A	GLN127
A	ARG298

---

site_id	AC6
Number of Residues	2
Details	binding site for residue IMD A 506

Chain	Residue
A	TYR101
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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