3RET

salicylate and pyruvate bound structure of the isochorismate-pyruvate lyase k42e mutant from pseudomonas aerugionsa

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 163
  • Norm. En. per Res.: -5.6811
• 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	-84.0156	-95.4958	-746.513	-926.0244	163	20	30	28035	18	84	72

Interface residues

• A-B: ALA11A, ALA11B, ALA16A, ALA16B, ALA27A, ALA27B, ALA37A, ALA37B, ALA38A, ALA38B, ALA43A, ALA47A, ALA50A, ALA50B, ALA62A, ALA62B, ALA65A, ALA65B, ALA72A, ALA72B, ALA80A, ALA80B, ARG14A, ARG14B, ARG19A, ARG19B, ARG30A, ARG30B, ARG31A, ARG31B, ARG40A, ARG40B, ARG53A, ARG53B, ARG61A, ARG61B, ARG63A, ARG63B, ASN68A, ASN68B, ASP12A, ASP12B, ASP18A, ASP18B, ASP21A, ASP21B, ASP23A, ASP23B, ASP33A, ASP33B, ASP6A, ASP6B, ASP71A, ASP71B, CYS7A, CYS7B, GLN26A, GLN26B, GLN81A, GLN81B, GLN90A, GLN90B, GLU15A, GLU15B, GLU42A, GLU52A, GLU52B, GLU5A, GLU5B, GLU60A, GLU60B, GLU66A, GLU66B, GLU67A, GLU67B, GLU76A, GLU76B, GLU89A, GLU89B, GLY29A, GLY29B, GLY69A, GLY69B, GLY77A, GLY77B, GLY9A, GLY9B, HIS84A, HIS84B, ILE13A, ILE13B, ILE17A, ILE17B, ILE20A, ILE20B, ILE24A, ILE24B, ILE48A, ILE48B, ILE82A, ILE82B, ILE83A, ILE83B, LEU10A, LEU10B, LEU22A, LEU22B, LEU28A, LEU28B, LEU58A, LEU58B, LEU70A, LEU70B, LEU78A, LEU78B, LYS2A, LYS2B, LYS36A, LYS36B, LYS92A, LYS92B, MET1A, MET1B, MET32A, MET32B, MET57A, MET57B, PHE41A, PHE41B, PHE74A, PHE74B, PHE79A, PHE79B, PRO49A, PRO49B, PRO4A, PRO4B, PRO51A, PRO51B, PRO73A, PRO73B, SER39A, SER39B, THR3A, THR3B, THR8A, THR8B, TRP64A, TRP64B, TRP85A, TRP85B, TYR34A, TYR34B, TYR86A, TYR86B, VAL25A, VAL25B, VAL35A, VAL35B, VAL54A, VAL54B, VAL75A, VAL75B