3CJ5

crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with optimized small molecule fragments

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 102
  • Norm. En. per Res.: -1.6012
• 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	-26.0424	-22.5154	-114.763	-163.3208	102	7	2	5949	2	24	39

Interface residues

• A-B: ALA105B, ALA115B, ALA15B, ALA16B, ALA25B, ALA400B, ALA435B, ALA541A, ALA542A, ALA73A, ALA75A, ALA80A, ALA9B, ARG250A, ARG380A, ARG401B, ARG43B, ARG465A, ARG544A, ASN110B, ASN206A, ASN24B, ASN268B, ASN273B, ASN28B, ASP107B, ASP244A, ASP375A, CYS14B, CYS242A, CYS243A, GLN184A, GLN199A, GLN272B, GLN436B, GLN438B, GLU17B, GLU202A, GLU437B, GLU464A, GLU70A, GLY102B, GLY104B, GLY188A, GLY271B, GLY468A, HIS34B, HIS402B, HIS95B, ILE23B, ILE432B, ILE539A, LEU10B, LEU245A, LEU26B, LEU434B, LEU469A, LEU547A, LYS100B, LYS106B, LYS114B, LYS209A, LYS211A, LYS212A, LYS270B, LYS379A, LYS441B, LYS535A, LYS69A, LYS72A, LYS74A, LYS79A, LYS98B, MET71A, PHE101B, PRO13B, PRO538A, PRO540A, SER112B, SER210A, SER269B, SER27B, SER377A, SER543A, SER548A, SER76A, SER99B, THR12B, THR181A, THR207A, THR399B, THR537A, THR77A, TRP208A, TYR103B, TYR382A, VAL108B, VAL185A, VAL186A, VAL205A, VAL381A, VAL78A