3M5O

crystal structure of hcv ns3/4a protease in complex with n-terminal product 5a5b

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 44
  • Norm. En. per Res.: -5.866
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	0.0	13.5186	-33.3823	-19.8636	43	2	0	1752	0	10	9
A-C	-101.6143	-13.917	-142.571	-258.1024	44	10	5	4768	1	10	2
B-D	-87.1212	-10.4854	-131.47	-229.0766	45	8	5	4500	1	10	2

Interface residues

• A-B: ARG1092A, ARG1092B, ARG997A, ARG997B, ASN999A, ASN999B, ASP1003A, ASP1003B, GLN1008A, GLN1008B, GLN1028A, GLN1028B, GLN1089A, GLN1089B, GLU1030A, GLU1030B, GLU1032A, GLU1032B, GLY1002A, GLY1002B, GLY1031A, GLY1031B, GLY1090A, GLY1090B, HIS1149A, LEU1000A, LEU1000B, LEU1094A, LEU1094B, SER1001A, SER1001B, SER1091A, SER1091B, SER1093A, SER1093B, THR1004A, THR1004B, THR1095A, THR1095B, TYR1006A, TYR1006B, VAL1029A, VAL1029B
• A-C: ALA1139A, ALA1156A, ALA1157A, ALA1164A, ALA1166A, ARG1109A, ARG1123A, ARG1155A, ARG1161A, ASP1081A, ASP1168A, ASP3C, CYS6C, CYS7C, GLN1041A, GLU2C, GLY1058A, GLY1137A, GLY1140A, GLY1141A, GLY1162A, HIS1057A, ILE1132A, LEU1044A, LEU1106A, LEU1135A, LYS1136A, LYS1165A, PHE1043A, PHE1154A, PRO1131A, SER1133A, SER1138A, SER1159A, THR1042A, THR1160A, THR1C, TYR1134A, VAL1055A, VAL1158A, VAL1163A, VAL1167A, VAL4C, VAL5C
• B-D: ALA1139B, ALA1156B, ALA1157B, ALA1164B, ALA1166B, ARG1109B, ARG1119B, ARG1123B, ARG1155B, ARG1161B, ASP1081B, ASP1168B, ASP3D, CYS6D, CYS7D, GLN1041B, GLU2D, GLY1058B, GLY1137B, GLY1140B, GLY1141B, GLY1162B, HIS1057B, ILE1132B, LEU1044B, LEU1106B, LEU1135B, LYS1136B, LYS1165B, PHE1043B, PHE1154B, SER1133B, SER1138B, SER1159B, THR1042B, THR1160B, THR1D, TYR1056B, TYR1134B, VAL1055B, VAL1158B, VAL1163B, VAL1167B, VAL4D, VAL5D