5RGP

PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102628 (Mpro-x0771)

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	9
Details	binding site for residue DMS A 401

Chain	Residue
A	GLN74
A	LEU75
A	ARG76
A	ARG222
A	PHE223
A	THR224
A	ASP263
A	HOH559
A	HOH651

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site_id	AC2
Number of Residues	6
Details	binding site for residue DMS A 402

Chain	Residue
A	MET6
A	PHE8
A	SER123
A	GLN127
A	ARG298
A	HOH639

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site_id	AC3
Number of Residues	3
Details	binding site for residue DMS A 403

Chain	Residue
A	GLY15
A	MET17
A	LYS97

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site_id	AC4
Number of Residues	12
Details	binding site for residue U1M A 404

Chain	Residue
A	THR25
A	THR26
A	HIS41
A	ASN142
A	GLY143
A	SER144
A	CYS145
A	HIS164
A	VAL297
A	SER301
A	DMS405
A	HOH785

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site_id	AC5
Number of Residues	9
Details	binding site for residue DMS A 405

Chain	Residue
A	PHE140
A	LEU141
A	ASN142
A	SER144
A	CYS145
A	HIS163
A	GLU166
A	HIS172
A	U1M404

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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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