3OE0

crystal structure of the cxcr4 chemokine receptor in complex with a cyclic peptide antagonist cvx15

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-I
  • Int. Res.: 80
  • Norm. En. per Res.: -4.0727
• 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-I	-46.3407	-44.9736	-234.502	-325.8164	80	10	3	8003	6	32	23

Interface residues

• A-I: ALA175A, ALA180A, ARG11I, ARG14I, ARG188A, ARG1I, ARG2I, ARG30A, ASN176A, ASN192A, ASN278A, ASN37A, ASP171A, ASP187A, ASP193A, ASP262A, ASP97A, CYS109A, CYS13I, CYS186A, CYS28A, CYS4I, GLN200A, GLN6I, GLU179A, GLU268A, GLU26A, GLU277A, GLU288A, GLU32A, GLY15I, HIS113A, HIS203A, HIS281A, ILE115A, ILE185A, ILE259A, ILE261A, ILE265A, ILE284A, LEU120A, LEU167A, LEU194A, LEU266A, LEU267A, LYS110A, LYS25A, LYS282A, LYS7I, PHE174A, PHE189A, PHE199A, PHE264A, PHE292A, PHE87A, PRO170A, PRO191A, PRO27A, PRO9I, SER178A, SER263A, SER285A, THR117A, THR168A, TRP195A, TRP252A, TRP94A, TYR10I, TYR116A, TYR121A, TYR190A, TYR255A, TYR5I, VAL112A, VAL114A, VAL118A, VAL177A, VAL196A, VAL197A, VAL280A