5REG

PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1545313172

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	8
Details	binding site for residue DMS A 401

Chain	Residue
A	GLN74
A	LEU75
A	ARG76
A	PHE223
A	THR224
A	ASP263
A	HOH524
A	HOH688

---

site_id	AC2
Number of Residues	5
Details	binding site for residue DMS A 402

Chain	Residue
A	ASN65
A	LEU67
A	PHE223
A	HOH544
A	HIS64

---

site_id	AC3
Number of Residues	5
Details	binding site for residue DMS A 403

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

---

site_id	AC4
Number of Residues	14
Details	binding site for residue LWA A 404

Chain	Residue
A	ILE59
A	LYS61
A	SER62
A	ARG105
A	ILE106
A	GLN107
A	PRO108
A	PHE134
A	TYR182
A	GLY183
A	PRO184
A	HOH502
A	HOH627
A	HOH812

---

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

---

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

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	SITE: Cleavage; by 3CL-PRO => ECO:0000250|UniProtKB:P0C6V3

Chain	Residue	Details
A	GLN306

---