2NWN

new pharmacophore for serine protease inhibition revealed by crystal structure of human urokinase-type plasminogen activator complexed with a cyclic peptidyl inhibitor, upain-1

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 76
  • Norm. En. per Res.: -4.7863
• 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	-43.8589	-77.2087	-242.69	-363.7575	76	22	0	8544	5	16	19

Interface residues

• A-B: ALA183A, ALA184A, ALA221A, ALA55A, ALA96A, ALA98A, ARG10B, ARG217A, ARG35A, ARG4B, ASN8B, ASP102A, ASP148A, ASP189A, ASP194A, ASP60A, ASP63A, CYS12B, CYS182A, CYS191A, CYS1B, CYS220A, CYS42A, CYS58A, GLN192A, GLU7B, GLY142A, GLY193A, GLY196A, GLY197A, GLY216A, GLY219A, GLY226A, GLY43A, GLY5B, HIS57A, HIS99A, HIS9B, ILE138A, ILE16A, ILE17A, ILE33A, ILE60A, LEU222A, LEU6B, LEU88A, LEU97A, LYS143A, LYS224A, MET11B, PHE59A, PRO225A, PRO60A, SER146A, SER190A, SER195A, SER214A, SER2B, THR147A, THR188A, THR39A, THR56A, TRP215A, TRP3B, TYR151A, TYR172A, TYR228A, TYR34A, TYR40A, TYR60A, TYR64A, TYR94A, VAL160A, VAL213A, VAL227A, VAL41A