3QGD

crystal structure of the hepatitis c virus ns5b rna-dependent rna polymerase complex with (2e)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7- dihydro-5h-indolo[1,2-d][1,4]benzodiazepin-10-yl) carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid and (2r)-4-(2,6-dimethoxypyrimidin-4-yl)-1-[(4-ethylphenyl)sulfonyl]- n-(4-methoxybenzyl)piperazine-2-carboxamide

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 103
  • Norm. En. per Res.: -2.4006
• Hub Node: A(1)

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	-12.7742	20.3771	-254.864	-247.2611	103	9	1	10939	0	59	73

Interface residues

• A-B: ALA246A, ALA246B, ALA249A, ALA249B, ALA252A, ALA252B, ALA73A, ALA73B, ALA75A, ALA75B, ALA80A, ALA80B, ARG234A, ARG234B, ARG250A, ARG250B, ARG254A, ARG254B, ARG65A, ARG65B, ASN231A, ASN231B, ASP129A, ASP129B, ASP244A, ASP244B, ASP61B, ASP66A, ASP66B, CYS242A, CYS242B, CYS243A, CYS243B, GLN241A, GLN241B, GLN251A, GLN251B, GLU128A, GLU128B, GLU131A, GLU131B, GLU230A, GLU230B, GLU236B, GLU237A, GLU237B, GLU248A, GLU248B, GLU258A, GLU258B, GLU70A, GLU70B, ILE239A, ILE239B, ILE253A, ILE253B, ILE262A, ILE262B, LEU126A, LEU126B, LEU127A, LEU127B, LEU245A, LEU245B, LEU60A, LEU60B, LEU68A, LEU68B, LYS124A, LYS124B, LYS69A, LYS69B, LYS72A, LYS72B, LYS74A, LYS74B, LYS79A, LYS79B, MET71A, MET71B, PRO247A, PRO247B, SER238A, SER238B, SER255A, SER255B, SER76A, SER76B, THR130A, THR130B, THR132B, THR257A, THR257B, THR77A, THR77B, TYR240A, TYR240B, TYR64A, TYR64B, VAL235A, VAL235B, VAL78A, VAL78B