5RFU

PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102121

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	HOH583

---

site_id	AC2
Number of Residues	4
Details	binding site for residue DMS A 402

Chain	Residue
A	SER123
A	GLN127
A	ARG298
A	MET6

---

site_id	AC3
Number of Residues	4
Details	binding site for residue DMS A 403

Chain	Residue
A	GLY15
A	MET17
A	LYS97
A	HOH663

---

site_id	AC4
Number of Residues	6
Details	binding site for residue DMS A 404

Chain	Residue
A	PHE140
A	LEU141
A	ASN142
A	HIS163
A	GLU166
A	T8D405

---

site_id	AC5
Number of Residues	11
Details	binding site for residue T8D A 405

Chain	Residue
A	THR26
A	HIS41
A	ASN142
A	GLY143
A	SER144
A	CYS145
A	SER301
A	DMS404
A	HOH508
A	HOH642
A	HOH700

---

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

---