5RF1

PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00023830

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	5
Details	binding site for residue DMS A 401

Chain	Residue
A	ARG76
A	PHE223
A	ASP263
A	HOH522
A	HOH566

---

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

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

---

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

Chain	Residue
A	GLY15
A	MET17
A	GLY71
A	LYS97
A	HOH578

---

site_id	AC4
Number of Residues	10
Details	binding site for residue T5G A 404

Chain	Residue
A	MET49
A	MET165
A	GLU166
A	PRO168
A	ARG188
A	GLN189
A	GLY251
A	PRO252
A	HOH608
A	HOH632

---

site_id	AC5
Number of Residues	6
Details	binding site for residue DMS A 405

Chain	Residue
A	PHE140
A	LEU141
A	SER144
A	HIS163
A	GLU166
A	HIS172

---

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

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