1XKB

factor xa complexed with a synthetic inhibitor fx-2212a, (2s)-(3'-amidino-3-biphenylyl)-5-(4-pyridylamino)pentanoic acid

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 70
  • Norm. En. per Res.: -2.7161
• 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-C	-44.0899	-39.1072	487.679	404.4819	84	24	3	9737	1	15	18
C-D	-42.341	-10.3606	-137.422	-190.1237	70	21	0	5992	3	47	60
B-D	-32.9607	-14.2274	473.743	426.5549	84	33	3	10697	0	21	22

Interface residues

• A-C: ALA112A, ALA119C, ALA121C, ALA123A, ALA128C, ARG113A, ARG115C, ARG125C, ARG202C, ASN117C, ASN93A, ASP126C, ASP205C, ASP239C, ASP24C, ASP92A, ASP95A, ASP97A, CYS100A, CYS109A, CYS111A, CYS122C, CYS124A, CYS132A, CYS22C, CYS27C, CYS89A, CYS96A, GLN135A, GLN98A, GLU124C, GLU138A, GLU26C, GLY114A, GLY128A, GLY133A, GLY25C, GLY94A, HIS101A, ILE137C, ILE238C, ILE46C, LEU123C, LEU131C, LEU137A, LEU235C, LEU47C, LYS122A, LYS134A, LYS204C, LYS236C, LYS23C, LYS243C, LYS87A, MET116C, MET157C, MET242C, PHE114C, PHE203C, PHE208C, PHE99A, PRO120C, PRO124C, PRO129A, PRO131A, PRO28C, SER110A, SER130C, SER48C, SER90A, THR113C, THR131C, THR136A, THR201C, THR206C, TRP127C, TRP29C, TYR115A, TYR130A, TYR207C, VAL108A, VAL118C, VAL200C, VAL209C
• C-D: ALA221C, ALA221D, ARG143C, ARG143D, ARG150C, ARG150D, ARG154C, ARG154D, ARG222D, ARG71C, ARG71D, ASN72C, ASN72D, ASP189C, ASP189D, CYS220D, CYS22C, CYS22D, GLN151C, GLN151D, GLN187C, GLN187D, GLN20C, GLN20D, GLN75C, GLU146C, GLU146D, GLU159D, GLU188C, GLU188D, GLU21C, GLU21D, GLU74C, GLU74D, GLU77C, GLY149C, GLY149D, GLY18C, GLY18D, GLY19C, GLY19D, HIS145C, HIS145D, ILE16D, LEU155D, LEU158C, LEU158D, LYS147C, LYS147D, LYS156C, LYS156D, LYS186C, LYS186D, LYS223D, LYS23C, LYS23D, MET157C, MET157D, SER152C, SER152D, THR144C, THR144D, THR153C, THR153D, THR185C, THR185D, TYR185C, TYR185D, VAL17C, VAL17D
• B-D: ALA112B, ALA119D, ALA121D, ALA123B, ALA128D, ARG113B, ARG115D, ARG139B, ARG202D, ASN117D, ASN93B, ASP126D, ASP205D, ASP239D, ASP24D, ASP92B, ASP95B, ASP97B, CYS100B, CYS109B, CYS111B, CYS122D, CYS124B, CYS132B, CYS22D, CYS27D, CYS89B, CYS96B, GLN135B, GLN98B, GLU124D, GLU138B, GLU26D, GLU49D, GLY114B, GLY128B, GLY133B, GLY25D, GLY94B, HIS101B, ILE137D, ILE46D, LEU123D, LEU131D, LEU137B, LEU47D, LEU91B, LYS122B, LYS134B, LYS204D, LYS23D, LYS243D, LYS87B, MET116D, MET157D, MET242D, PHE114D, PHE203D, PHE208D, PHE99B, PRO120D, PRO124D, PRO129B, PRO131B, PRO28D, SER110B, SER130D, SER48D, SER90B, THR113D, THR131D, THR136B, THR201D, THR206D, THR244D, TRP127D, TRP29D, TYR115B, TYR130B, TYR207D, VAL108B, VAL118D, VAL200D, VAL209D