1MU6

crystal structure of thrombin in complex with l-378,622

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 88
  • Norm. En. per Res.: -5.5124
• 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	-102.4309	-84.453	-298.21	-485.0939	88	21	2	13151	10	38	27
B-C	-21.7655	-40.8971	-129.143	-191.8056	38	5	2	4963	2	25	8

Interface residues

• A-B: ALA132B, ALA22B, ARG137B, ARG14A, ARG206B, ARG4A, ASN159B, ASN204B, ASN205B, ASP116B, ASP14A, ASP1A, ASP1A5, ASP21B, CB7.85035-52.02723, CB9.32047-44.65954, CYS122B, CYS1A, GLN131B, GLN156B, GLN209B, GLU13A, GLU14A, GLU23B, GLU8A, GLY133B, GLY136B, GLY19B, GLY25B, GLY2A, HIS119B, HIS71B, ILE118B, ILE14A, ILE162B, ILE24B, ILE47B, LEU123B, LEU129B, LEU12A, LEU130B, LEU14A, LEU155B, LEU160B, LEU3A, LEU46B, LEU6A, LYS10A, LYS135B, LYS14A, LYS186B, LYS202B, LYS9A, MET201B, MET210B, MET26B, PHE114B, PHE199B, PHE204B, PHE7A, PRO120B, PRO124B, PRO161B, PRO204B, PRO28B, PRO5A, SER115B, SER11A, SER129B, SER14A, SER203B, SER20B, SER27B, SER48B, THR139B, THR14A, TRP207B, TRP29B, TYR117B, TYR134B, TYR14A, TYR184B, TYR208B, VAL121B, VAL138B, VAL157B, VAL158B, VAL200B
• B-C: ARG35B, ARG67B, ARG73B, ARG75B, ARG77B, ASN62B, ASN78B, ASP355C, GLN151B, GLN365C, GLN38B, GLU357C, GLU358C, GLU361C, GLU362C, GLU39B, GLU77B, GLU80B, ILE359C, ILE82B, LEU364C, LEU40B, LEU41B, LEU65B, LYS36B, LYS70B, MET32B, MET84B, PHE34B, PHE356C, PRO360C, PRO37B, SER153B, SER36B, SER72B, THR74B, TRP141B, TYR76B