1WU1

factor xa in complex with the inhibitor 4-[(5-chloroindol-2- yl)sulfonyl]-2-(2-methylpropyl)-1-[[5-(pyridin-4-yl) pyrimidin-2-yl]carbonyl]piperazine

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 79
  • Norm. En. per Res.: -4.4256
• 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	-61.3921	-31.1233	-257.108	-349.6233	79	21	3	9227	2	18	19

Interface residues

• A-B: ALA112B, ALA119A, ALA121A, ALA123B, ALA128A, ARG113B, ARG115A, ARG125A, ARG202A, ASN117A, ASN93B, ASP126A, ASP205A, ASP24A, ASP92B, ASP95B, ASP97B, CYS100B, CYS111B, CYS122A, CYS124B, CYS132B, CYS22A, CYS27A, CYS89B, CYS96B, GLN133A, GLN135B, GLN98B, GLU124A, GLU138B, GLU26A, GLY114B, GLY133B, GLY25A, GLY94B, HIS101B, ILE112A, ILE137A, ILE46A, LEU123A, LEU131A, LEU137B, LEU47A, LYS122B, LYS134B, LYS204A, LYS23A, MET116A, MET157A, MET242A, PHE114A, PHE203A, PHE208A, PHE99B, PRO120A, PRO124A, PRO126B, PRO129B, PRO131B, PRO28A, SER110B, SER130A, SER48A, SER90B, THR113A, THR131A, THR136B, THR201A, THR206A, TRP127A, TRP29A, TYR115B, TYR130B, TYR207A, VAL108B, VAL118A, VAL200A, VAL209A