1DXP

Inhibition of the Hepatitis C Virus NS3/4A Protease. The Crystal Structures of Two Protease-Inhibitor Complexes (apo structure)

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	transformation of host cell by virus
B	0006508	biological_process	proteolysis
B	0008236	molecular_function	serine-type peptidase activity
B	0019087	biological_process	transformation of host cell by virus

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 201

Chain	Residue
A	CYS97
A	CYS99
A	CYS145
A	HOH2090

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 201

Chain	Residue
B	CYS97
B	CYS99
B	CYS145
B	HOH2106

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 202

Chain	Residue
B	LYS136
B	GLY137
B	SER138
B	SER139
B	SER42

---

site_id	AC4
Number of Residues	36
Details	BINDING SITE FOR CHAIN C OF NONSTRUCTURAL PROTEIN NS4A (P4)

Chain	Residue
A	ILE3
A	THR4
A	ALA5
A	TYR6
A	SER7
A	GLN8
A	GLN9
A	THR10
A	ARG11
A	SER20
A	GLN28
A	ASP30
A	GLY31
A	GLU32
A	VAL33
A	GLN34
A	VAL35
A	LEU36
A	SER37
A	THR38
A	LYS62
A	THR63
A	LEU64
A	ALA65
A	PRO70
A	MET94
A	THR108
A	ARG109
A	LEU144
A	HOH2024
A	HOH2045
C	HOH2006
C	HOH2007
C	HOH2008
C	HOH2009
C	HOH2011

---

site_id	AC5
Number of Residues	30
Details	BINDING SITE FOR CHAIN D OF NONSTRUCTURAL PROTEIN NS4A (P4)

Chain	Residue
B	THR4
B	ALA5
B	TYR6
B	SER7
B	GLN8
B	GLN9
B	THR10
B	CYS16
B	THR19
B	SER20
B	GLN28
B	ASP30
B	GLY31
B	GLU32
B	VAL33
B	GLN34
B	VAL35
B	LEU36
B	SER37
B	LYS62
B	THR63
B	LEU64
B	ALA65
B	PRO70
B	ARG92
B	THR108
B	ARG109
B	HOH2042
B	HOH2071
D	HOH2002

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	40
Details	TRANSMEM: Helical => ECO:0000250|UniProtKB:P27958

Chain	Residue	Details
A	VAL55-TYR75
B	VAL55-TYR75

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	ACT_SITE: Charge relay system; for serine protease NS3 activity => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000305|PubMed:8389908, ECO:0000305|PubMed:8392606, ECO:0000305|PubMed:9060645

Chain	Residue	Details
A	HIS57
B	HIS57

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	ACT_SITE: Charge relay system; for serine protease NS3 activity => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000305|PubMed:8389908, ECO:0000305|PubMed:8392606

Chain	Residue	Details
A	ASP81
B	ASP81

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	ACT_SITE: Charge relay system; for serine protease NS3 activity => ECO:0000255|PROSITE-ProRule:PRU01166

Chain	Residue	Details
A	SER139
B	SER139

---

site_id	SWS_FT_FI5
Number of Residues	8
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000269|PubMed:9060645

Chain	Residue	Details
A	CYS97
A	CYS99
A	CYS145
A	HIS149
B	CYS97
B	CYS99
B	CYS145
B	HIS149

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	SITE: Cleavage; by host signal peptidase => ECO:0000269|PubMed:1648221

Chain	Residue	Details
A	ASP79
B	ASP79

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	CARBOHYD: N-linked (GlcNAc...) asparagine; by host => ECO:0000250|UniProtKB:P27958

Chain	Residue	Details
A	ALA1
B	ALA1

---

site_id	SWS_FT_FI8
Number of Residues	2
Details	CARBOHYD: O-linked (Hex...) threonine; by host => ECO:0000305|PubMed:23242014

Chain	Residue	Details
A	ASP81
B	ASP81

---

site_id	SWS_FT_FI9
Number of Residues	4
Details	CARBOHYD: O-linked (Hex...) threonine; by host => ECO:0000269|PubMed:23242014

Chain	Residue	Details
A	ARG92
A	PHE169
B	ARG92
B	PHE169

---

site_id	SWS_FT_FI10
Number of Residues	4
Details	CARBOHYD: O-linked (Hex...) serine; by host => ECO:0000269|PubMed:23242014

Chain	Residue	Details
A	CYS97
A	GLY100
B	CYS97
B	GLY100

---

site_id	SWS_FT_FI11
Number of Residues	8
Details	CARBOHYD: N-linked (GlcNAc...) (high mannose) asparagine; by host => ECO:0000250|UniProtKB:P27958

Chain	Residue	Details
A	VAL113
A	ARG119
A	LEU126
A	LEU144
B	VAL113
B	ARG119
B	LEU126
B	LEU144

---

Catalytic Information from CSA

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

Chain	Residue	Details
A	ASP81
A	SER139
A	GLY137
A	HIS57

---

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

Chain	Residue	Details
B	ASP81
B	SER139
B	GLY137
B	HIS57

---