2GZ8

Structure-Based Drug Design and Structural Biology Study of Novel Nonpeptide Inhibitors of SARS-CoV Main Protease

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	13
Details	BINDING SITE FOR RESIDUE F3F A 307

Chain	Residue
A	THR26
A	THR190
A	GLN192
A	HOH323
A	HOH480
A	HIS41
A	LEU141
A	ASN142
A	GLY143
A	SER144
A	CYS145
A	GLU166
A	PRO168

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	ACT_SITE: For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772

Chain	Residue	Details
A	HIS41
A	CYS145

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site_id	SWS_FT_FI2
Number of Residues	1
Details	SITE: Cleavage; by 3CL-PRO => ECO:0000269|PubMed:14561748

Chain	Residue	Details
A	GLN306

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 2bx4

Chain	Residue	Details
A	CYS145
A	HIS41

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site_id	MCSA1
Number of Residues	3
Details	M-CSA 830

Chain	Residue	Details
A	HIS41	proton acceptor, proton donor
A	GLY143	electrostatic stabiliser
A	CYS145	electrostatic stabiliser

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