1A1R

HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0006508	biological_process	proteolysis
A	0008236	molecular_function	serine-type peptidase activity
A	0019087	biological_process	symbiont-mediated transformation of host cell
B	0006508	biological_process	proteolysis
B	0008236	molecular_function	serine-type peptidase activity
B	0019087	biological_process	symbiont-mediated transformation of host cell

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	ACTIVE SITE, MOLECULE A.

Chain	Residue
A	THR87
A	ASP107
A	SER165

---

site_id	AC2
Number of Residues	3
Details	ACTIVE SITE, MOLECULE B.

Chain	Residue
B	THR87
B	ASP107
B	SER165

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 901

Chain	Residue
A	CYS123
A	CYS125
A	CYS171
A	HOH921

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN B 902

Chain	Residue
B	CYS123
B	THR124
B	CYS125
B	CYS171
B	HOH912

---

site_id	ZN1
Number of Residues	4
Details	ZINC BINDING SITE, MOLECULE A.

Chain	Residue
A	CYS171
A	ZN901
A	CYS123
A	CYS125

---

site_id	ZN2
Number of Residues	4
Details	ZINC BINDING SITE, MOLECULE B.

Chain	Residue
B	ZN902
B	CYS123
B	CYS125
B	CYS171

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Active site: {"description":"Charge relay system; for serine protease NS3 activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU01166","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"8386278","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8861917","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Active site: {"description":"Charge relay system; for serine protease NS3 activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU01166","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"8861917","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Active site: {"description":"Charge relay system; for serine protease NS3 activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU01166","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"8248148","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8386278","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8861917","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU01166","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"21507982","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1A1R","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1N1L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1RGQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2A4R","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2F9V","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2O8M","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2OBQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2OC0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2OC1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2OC7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2OC8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2OIN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2XNI","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU01166","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"21507982","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1N1L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1RGQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2A4R","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2F9V","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2O8M","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2OBQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2OC0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2OC1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2OC7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2OC8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2OIN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2XNI","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU01166","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"21507982","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	22
Details	Region: {"description":"NS3-binding","evidences":[{"source":"PubMed","id":"7769699","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8861917","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	Annotated By Reference To The Literature 1rgq

Chain	Residue	Details
A	ASP107
A	HIS83
A	SER165
A	GLY163

---

site_id	CSA2
Number of Residues	4
Details	Annotated By Reference To The Literature 1rgq

Chain	Residue	Details
B	ASP107
B	HIS83
B	SER165
B	GLY163

---

site_id	MCSA1
Number of Residues
Details	M-CSA 776

Chain	Residue	Details
A	HIS83	proton shuttle (general acid/base)
A	ASP107	electrostatic stabiliser
A	GLY163	electrostatic stabiliser
A	SER165	covalently attached, electrostatic stabiliser

---

site_id	MCSA2
Number of Residues
Details	M-CSA 776

Chain	Residue	Details
B	HIS83	proton shuttle (general acid/base)
B	ASP107	electrostatic stabiliser
B	GLY163	electrostatic stabiliser
B	SER165	covalently attached, electrostatic stabiliser

---