6C2M

Crystal structure of HCV NS3/4A protease variant Y56H in complex with MK-5172

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0006508	biological_process	proteolysis
A	0008233	molecular_function	peptidase activity
A	0008236	molecular_function	serine-type peptidase activity
A	0016787	molecular_function	hydrolase activity
A	0019028	cellular_component	viral capsid
A	0019062	biological_process	virion attachment to host cell
A	0019087	biological_process	symbiont-mediated transformation of host cell
A	0033644	cellular_component	host cell membrane
A	0043657	cellular_component	host cell
A	0044423	cellular_component	virion component
A	0046718	biological_process	symbiont entry into host cell
A	0046872	molecular_function	metal ion binding
A	0055036	cellular_component	virion membrane
B	0006508	biological_process	proteolysis
B	0008233	molecular_function	peptidase activity
B	0008236	molecular_function	serine-type peptidase activity
B	0016787	molecular_function	hydrolase activity
B	0019028	cellular_component	viral capsid
B	0019062	biological_process	virion attachment to host cell
B	0019087	biological_process	symbiont-mediated transformation of host cell
B	0033644	cellular_component	host cell membrane
B	0043657	cellular_component	host cell
B	0044423	cellular_component	virion component
B	0046718	biological_process	symbiont entry into host cell
B	0046872	molecular_function	metal ion binding
B	0055036	cellular_component	virion membrane
C	0006508	biological_process	proteolysis
C	0008233	molecular_function	peptidase activity
C	0008236	molecular_function	serine-type peptidase activity
C	0016787	molecular_function	hydrolase activity
C	0019028	cellular_component	viral capsid
C	0019062	biological_process	virion attachment to host cell
C	0019087	biological_process	symbiont-mediated transformation of host cell
C	0033644	cellular_component	host cell membrane
C	0043657	cellular_component	host cell
C	0044423	cellular_component	virion component
C	0046718	biological_process	symbiont entry into host cell
C	0046872	molecular_function	metal ion binding
C	0055036	cellular_component	virion membrane
D	0006508	biological_process	proteolysis
D	0008233	molecular_function	peptidase activity
D	0008236	molecular_function	serine-type peptidase activity
D	0016787	molecular_function	hydrolase activity
D	0019028	cellular_component	viral capsid
D	0019062	biological_process	virion attachment to host cell
D	0019087	biological_process	symbiont-mediated transformation of host cell
D	0033644	cellular_component	host cell membrane
D	0043657	cellular_component	host cell
D	0044423	cellular_component	virion component
D	0046718	biological_process	symbiont entry into host cell
D	0046872	molecular_function	metal ion binding
D	0055036	cellular_component	virion membrane

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	binding site for residue ZN A 1201

Chain	Residue
A	CYS1097
A	CYS1099
A	CYS1145
A	HOH1333

---

site_id	AC2
Number of Residues	18
Details	binding site for residue SUE A 1202

Chain	Residue
A	ASP1081
A	ARG1123
A	LEU1135
A	LYS1136
A	GLY1137
A	SER1138
A	SER1139
A	PHE1154
A	ARG1155
A	ALA1156
A	ALA1157
A	HOH1301
A	HOH1332
A	PHE1043
A	HIS1056
A	HIS1057
A	GLY1058
A	VAL1078

---

site_id	AC3
Number of Residues	3
Details	binding site for residue ZN B 1201

Chain	Residue
B	CYS1097
B	CYS1099
B	CYS1145

---

site_id	AC4
Number of Residues	19
Details	binding site for residue SUE B 1202

Chain	Residue
B	GLN1041
B	PHE1043
B	HIS1056
B	HIS1057
B	GLY1058
B	VAL1078
B	ASP1081
B	ARG1123
B	ILE1132
B	LEU1135
B	LYS1136
B	GLY1137
B	SER1138
B	SER1139
B	PHE1154
B	ARG1155
B	ALA1156
B	ALA1157
B	HOH1330

---

site_id	AC5
Number of Residues	8
Details	binding site for residue SO4 C 1201

Chain	Residue
A	SER1001
A	GLY1002
A	ASP1003
A	THR1004
C	ARG1011
C	GLY1012
C	GLY1015
C	HOH1301

---

site_id	AC6
Number of Residues	4
Details	binding site for residue ZN C 1202

Chain	Residue
C	CYS1097
C	CYS1099
C	CYS1145
C	HOH1339

---

site_id	AC7
Number of Residues	18
Details	binding site for residue SUE C 1203

Chain	Residue
C	GLN1041
C	HIS1056
C	HIS1057
C	VAL1078
C	ASP1081
C	ARG1123
C	ILE1132
C	LEU1135
C	LYS1136
C	GLY1137
C	SER1138
C	SER1139
C	PHE1154
C	ARG1155
C	ALA1156
C	ALA1157
C	HOH1320
C	HOH1329

---

site_id	AC8
Number of Residues	4
Details	binding site for residue ZN D 1201

Chain	Residue
D	CYS1097
D	CYS1099
D	CYS1145
D	HIS1149

---

site_id	AC9
Number of Residues	18
Details	binding site for residue SUE D 1202

Chain	Residue
D	HIS1056
D	HIS1057
D	GLY1058
D	VAL1078
D	ASP1081
D	ARG1123
D	ILE1132
D	LEU1135
D	LYS1136
D	GLY1137
D	SER1138
D	SER1139
D	PHE1154
D	ARG1155
D	ALA1156
D	ALA1157
D	HOH1305
D	HOH1316

---