2GNS

design of specific peptide inhibitors of phospholipase a2: crystal structure of the complex formed between a group ii phospholipase a2 and a designed pentapeptide ala- leu- val- tyr- lys at 2.3 a resolution

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-P
  • Int. Res.: 52
  • Norm. En. per Res.: -3.4351
• 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-P	-25.9643	-12.7368	-139.923	-178.6241	52	25	12	6181	1	7	8

Interface residues

• A-P: ALA102A, ALA103A, ALA18A, ALA1P, ARG43A, ASP42A, ASP49A, ASP99A, CYS29A, CYS44A, CYS45A, CYS50A, CYS51A, CYS98A, GLU11A, GLU4A, GLY30A, GLY32A, GLY33A, GLY6A, HIS48A, ILE19A, ILE9A, LEU10A, LEU17A, LEU2A, LEU2P, LEU3A, LYS16A, LYS5P, LYS69A, LYS7A, MET8A, PHE106A, PHE46A, PHE5A, PRO20A, PRO68A, SER1A, SER21A, SER23A, SER24A, THR41A, TRP31A, TYR22A, TYR25A, TYR28A, TYR4P, TYR52A, TYR75A, VAL3P, VAL47A