2P3T

crystal structure of human factor xa complexed with 3- chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2- carboxylic acid [4-chloro-2-(5-chloro-pyridin-2- ylcarbamoyl)-6-methoxy-phenyl]-amide

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 83
  • Norm. En. per Res.: 4.0161
• 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	-65.206	-24.904	423.449	333.339	83	25	3	9876	1	16	18

Interface residues

• A-B: ALA112A, ALA119B, ALA121B, ALA123A, ALA128B, ARG113A, ARG115B, ARG125B, ARG202B, ASN117B, ASN93A, ASP126B, ASP205B, ASP239B, ASP24B, ASP92A, ASP95A, ASP97A, CYS100A, CYS109A, CYS111A, CYS122B, CYS124A, CYS132A, CYS22B, CYS27B, CYS89A, CYS96A, GLN133B, GLN135A, GLN98A, GLU124B, GLU138A, GLU26B, GLU49B, GLY114A, GLY128A, GLY133A, GLY25B, GLY94A, HIS101A, ILE137B, ILE46B, LEU123B, LEU131B, LEU137A, LEU47B, LEU91A, LYS122A, LYS134A, LYS204B, LYS23B, LYS243B, MET116B, MET157B, MET242B, PHE114B, PHE203B, PHE208B, PHE50B, PHE99A, PRO120B, PRO124B, PRO129A, PRO131A, PRO28B, SER110A, SER130B, SER48B, SER90A, THR113B, THR131B, THR136A, THR206B, TRP127B, TRP29B, TYR115A, TYR130A, TYR207B, TYR51B, VAL118B, VAL200B, VAL209B