7AF0

Structure of SARS-CoV-2 Main Protease bound to Ipidacrine.

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	7
Details	binding site for residue DMS A 501

Chain	Residue
A	LEU75
A	ARG76
A	ARG222
A	PHE223
A	THR224
A	HOH637
A	HOH649

---

site_id	AC2
Number of Residues	4
Details	binding site for residue DMS A 502

Chain	Residue
A	LYS97
A	HOH733
A	GLY15
A	MET17

---

site_id	AC3
Number of Residues	2
Details	binding site for residue CL A 503

Chain	Residue
A	MET6
A	ARG298

---

site_id	AC4
Number of Residues	7
Details	binding site for residue R9W A 504

Chain	Residue
A	PRO96
A	LYS97
A	THR98
A	GLN273
A	HOH651
A	HOH744
A	HOH792

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	305
Details	Domain: {"description":"Peptidase C30","evidences":[{"source":"PROSITE-ProRule","id":"PRU00772","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"description":"For 3CL-PRO activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU00772","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"32198291","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Active site: {"description":"Nucleophile; for 3CL-PRO activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU00772","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"32198291","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"39223933","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---