1SR5

antithrombin-anhydrothrombin-heparin ternary complex structure

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 97
  • Norm. En. per Res.: -3.6186
• 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	-51.6922	-55.8059	-243.503	-351.0011	97	23	4	10121	7	23	21
B-C	-42.0603	-62.5335	428.083	323.4892	101	40	3	15418	6	43	33

Interface residues

• A-C: ALA183C, ALA190C, ALA384A, ALA387A, ALA391A, ALA55C, ALA56C, ARG173C, ARG175C, ARG221C, ARG235A, ARG35C, ARG393A, ARG399A, ARG97C, ASN143C, ASN233A, ASN396A, ASN398A, ASN60C, ASN95C, ASN98C, ASP100C, ASP102C, ASP189C, ASP194C, ASP221C, ASP60C, CYS191C, CYS220C, CYS42C, CYS58C, GLN151C, GLU146C, GLU192C, GLU217C, GLU232A, GLU255A, GLU313A, GLU39C, GLU97C, GLY142C, GLY188C, GLY193C, GLY196C, GLY197C, GLY216C, GLY219C, GLY226C, GLY392A, GLY43C, HIS57C, ILE16C, ILE174C, ILE212C, ILE390A, LEU160C, LEU33C, LEU395A, LEU40C, LEU41C, LEU59C, LEU60C, LEU99C, LYS224C, LYS257A, LYS60C, MET180C, MET314A, MET315A, PHE227C, PHE34C, PHE60C, PRO37C, PRO397A, PRO60C, SER195C, SER214C, SER230A, SER385A, SER394A, THR172C, THR386A, THR54C, TRP215C, TRP60C, TRP96C, TYR225C, TYR228C, TYR253A, TYR60C, VAL138C, VAL158C, VAL17C, VAL213C, VAL388A, VAL389A
• B-C: ALA132C, ALA1B, ALA22C, ARG137C, ARG14B, ARG206C, ARG4B, ARG50C, ASN159C, ASN204C, ASN205C, ASP116C, ASP14B, ASP1B, ASP21C, ASP243C, ASP49C, CYS122C, CYS1B, GLN131C, GLN209C, GLN239C, GLN244C, GLU13B, GLU14B, GLU1B, GLU23C, GLU8B, GLY133C, GLY136C, GLY1B, GLY25C, GLY2B, HIS119C, ILE118C, ILE14B, ILE162C, ILE238C, ILE242C, ILE24C, ILE47C, ILE79C, LEU105C, LEU108C, LEU123C, LEU129C, LEU12B, LEU130C, LEU14B, LEU160C, LEU3B, LEU46C, LEU53C, LEU6B, LYS107C, LYS10B, LYS135C, LYS14B, LYS186C, LYS202C, LYS235C, LYS9B, MET201C, MET210C, MET26C, PHE114C, PHE199C, PHE1B, PHE204C, PHE7B, PRO111C, PRO120C, PRO161C, PRO204C, PRO28C, PRO5B, SER115C, SER11B, SER129C, SER14B, SER1B, SER203C, SER20C, SER27C, SER48C, THR14B, TRP207C, TRP29C, TRP51C, TYR117C, TYR134C, TYR14B, TYR184C, TYR208C, VAL112C, VAL121C, VAL138C, VAL157C, VAL158C, VAL200C, VAL241C