6WX4

Crystal structure of the SARS CoV-2 Papain-like protease in complex with peptide inhibitor VIR251

Functional Information from GO Data

Chain	GOid	namespace	contents
D	0006508	biological_process	proteolysis
D	0008234	molecular_function	cysteine-type peptidase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	binding site for residue ZN D 501

Chain	Residue
D	CYS189
D	CYS192
D	CYS224
D	CYS226

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site_id	AC2
Number of Residues	13
Details	binding site for residues ACY A 1 and 73O A 2

Chain	Residue
D	ASN156
D	GLY163
D	ASP164
D	PRO248
D	TYR264
D	TYR268
D	TYR273
D	HOH647
I	DPP3
I	HOH101
I	HOH102
D	ASP76
D	ARG82

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site_id	AC3
Number of Residues	15
Details	binding site for residues 73O A 2 and DPP A 3

Chain	Residue
I	ACY1
I	GLY4
I	HOH101
D	ASP76
D	ARG82
D	ASN156
D	GLY163
D	ASP164
D	PRO248
D	TYR264
D	TYR268
D	GLN269
D	GLY271
D	TYR273
D	HOH743

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	37
Details	ZN_FING: C4-type => ECO:0000255|PROSITE-ProRule:PRU00444

Chain	Residue	Details
D	CYS189-CYS226

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site_id	SWS_FT_FI2
Number of Residues	1
Details	ACT_SITE: For PL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00444, ECO:0000269|PubMed:32726803

Chain	Residue	Details
D	CYS111

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site_id	SWS_FT_FI3
Number of Residues	2
Details	ACT_SITE: For PL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00444

Chain	Residue	Details
D	HIS272
D	ASP286

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site_id	SWS_FT_FI4
Number of Residues	4
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00444

Chain	Residue	Details
D	CYS189
D	CYS192
D	CYS224
D	CYS226

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