5FX5

Novel inhibitors of human rhinovirus 3C protease

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004197	molecular_function	cysteine-type endopeptidase activity
A	0006508	biological_process	proteolysis

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 1181

Chain	Residue
A	TYR63
A	SER177
A	HOH2084

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 1182

Chain	Residue
A	LYS69
A	ASN130
A	HOH2168
A	HOH2178

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PG4 A 1183

Chain	Residue
A	THR53
A	SER121
A	TYR122
A	GLY123
A	GLU46
A	GLN48

---

site_id	AC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE PGE A 1184

Chain	Residue
A	TYR31

---

site_id	AC5
Number of Residues	21
Details	BINDING SITE FOR RESIDUE HOV A 1185

Chain	Residue
A	ASN22
A	LYS24
A	PHE25
A	HIS40
A	GLU71
A	LEU126
A	LEU127
A	SER128
A	THR142
A	LYS143
A	GLY145
A	TYR146
A	CYS147
A	HIS161
A	VAL162
A	GLY163
A	GLY164
A	ASN165
A	PHE170
A	HOH2162
A	HOH2181

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	178
Details	Domain: {"description":"Peptidase C3","evidences":[{"source":"PROSITE-ProRule","id":"PRU01222","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	3
Details	Active site: {"description":"For protease 3C activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU01222","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 477

Chain	Residue	Details
A	HIS40	electrostatic stabiliser, proton shuttle (general acid/base)
A	GLU71	electrostatic stabiliser, modifies pKa
A	GLY145	electrostatic stabiliser
A	CYS147	electrostatic stabiliser

---