1NRP

crystallographic structures of thrombin complexed with thrombin receptor peptides: existence of expected and novel binding modes

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: H-R
  • Int. Res.: 54
  • Norm. En. per Res.: -2.3494
• Hub Node: H(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
L-H	-9.1586	-12.4344	599.859	578.2659	80	42	2	12690	8	37	30
H-R	0.0	-7.7091	-119.159	-126.8681	54	7	1	5286	4	12	15

Interface residues

• L-H: ALA132H, ALA22H, ARG137H, ARG14L, ARG206H, ARG4L, ASN159H, ASN204H, ASN205H, ASP116H, ASP14L, ASP1L, ASP21H, CYS122H, CYS1L, GLN131H, GLN209H, GLU13L, GLU14L, GLU23H, GLU8L, GLY133H, GLY136H, GLY19H, GLY25H, GLY2L, HIS119H, ILE118H, ILE14L, ILE162H, ILE24H, ILE47H, LEU123H, LEU129H, LEU12L, LEU130H, LEU14L, LEU160H, LEU3L, LEU46H, LEU6L, LYS135H, LYS14L, LYS186H, LYS202H, LYS9L, MET201H, MET210H, MET26H, PHE114H, PHE199H, PHE204H, PHE7L, PRO120H, PRO161H, PRO204H, PRO28H, PRO5L, SER115H, SER11L, SER129H, SER14L, SER203H, SER20H, SER27H, SER48H, THR139H, THR14L, TRP207H, TRP29H, TYR117H, TYR134H, TYR14L, TYR184H, TYR208H, VAL121H, VAL138H, VAL157H, VAL158H, VAL200H
• H-R: ALA190H, ALA55H, ARG97H, ASN143H, ASN95H, ASN98H, ASP102H, ASP189H, ASP194H, ASP39R, ASP60H, CYS191H, CYS220H, CYS42H, CYS58H, GLU146H, GLU192H, GLU217H, GLU53R, GLU97H, GLY142H, GLY193H, GLY196H, GLY197H, GLY216H, GLY219H, GLY226H, HIS57H, ILE174H, LEU38R, LEU41H, LEU99H, LYS224H, LYS51R, LYS60H, PHE227H, PHE55R, PRO40R, PRO54R, PRO60H, SER195H, SER214H, SER42R, THR147H, THR149H, TRP148H, TRP215H, TRP60H, TRP96H, TYR52R, TYR60H, TYR94H, VAL17H, VAL213H