3HGW

apo structure of pseudomonas aeruginosa isochorismate- pyruvate lyase i87t mutant

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 141
  • Norm. En. per Res.: -5.7513
• Hub Node: C(3)

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
C-D	-61.467	-78.4424	-670.143	-810.0524	148	18	27	25890	13	77	66
C-A	-8.9103	-15.8353	-58.5755	-83.3212	38	0	1	2389	0	6	3
C-B	-12.1706	-3.9427	-127.706	-143.8193	44	6	3	4515	1	5	8
D-A	-25.2568	-6.2186	-124.58	-156.0554	45	2	3	4343	0	5	8
D-B	0.0	0.5502	-51.5978	-51.0476	38	0	2	2671	0	8	4
A-B	-75.5687	-95.5343	-639.831	-810.934	141	16	30	25191	14	75	64

Interface residues

• C-D: ALA11C, ALA16C, ALA16D, ALA27C, ALA27D, ALA37C, ALA37D, ALA38C, ALA38D, ALA43D, ALA47D, ALA50D, ALA56D, ALA62C, ALA62D, ALA65C, ALA65D, ALA72C, ALA72D, ALA80C, ALA80D, ARG14C, ARG14D, ARG19C, ARG19D, ARG30C, ARG30D, ARG31C, ARG31D, ARG40D, ARG53D, ARG61C, ARG61D, ARG63C, ARG63D, ASN68C, ASN68D, ASP12C, ASP12D, ASP18C, ASP18D, ASP21C, ASP21D, ASP23C, ASP23D, ASP33C, ASP33D, ASP6C, ASP6D, ASP71C, ASP71D, CYS7C, CYS7D, GLN26C, GLN26D, GLN81C, GLN81D, GLN90C, GLN90D, GLU15C, GLU15D, GLU52D, GLU5C, GLU5D, GLU60C, GLU60D, GLU66C, GLU66D, GLU67C, GLU67D, GLU76D, GLU89C, GLU89D, GLY29C, GLY29D, GLY69C, GLY69D, GLY77C, GLY77D, GLY9C, GLY9D, HIS84C, HIS84D, ILE13C, ILE13D, ILE17C, ILE17D, ILE20C, ILE20D, ILE24C, ILE24D, ILE48D, ILE82C, ILE82D, ILE83C, ILE83D, LEU10C, LEU10D, LEU22C, LEU22D, LEU28C, LEU28D, LEU70C, LEU70D, LEU78C, LEU78D, LYS2C, LYS2D, LYS36C, LYS36D, LYS42D, LYS92C, LYS92D, MET32C, MET32D, MET57C, MET57D, PHE41D, PHE74C, PHE74D, PHE79C, PHE79D, PRO49D, PRO4C, PRO4D, PRO51D, PRO73C, PRO73D, SER39C, SER39D, THR3C, THR3D, THR8C, TRP64C, TRP64D, TRP85C, TRP85D, TYR34C, TYR34D, TYR86C, TYR86D, VAL25C, VAL25D, VAL35C, VAL35D, VAL54D, VAL75C, VAL75D
• C-A: ALA55C, ALA72A, ALA72C, ALA80A, ALA80C, ALA88A, ALA88C, ASP71A, ASP71C, GLN81A, GLN81C, GLU76A, GLU76C, GLY77A, GLY77C, HIS84A, HIS84C, ILE82A, ILE82C, ILE83A, ILE83C, LEU58A, LEU58C, LEU78A, LEU78C, PHE74A, PHE74C, PHE79A, PHE79C, PRO73A, PRO73C, THR87A, THR87C, TRP85A, TRP85C, VAL54C, VAL75A, VAL75C
• C-B: ALA80B, ALA80C, ALA88B, ALA88C, ARG95C, GLN81B, GLN81C, GLN90B, GLN90C, GLN96C, GLU76B, GLU89B, GLU89C, GLY77B, GLY77C, HIS84B, HIS84C, ILE82B, ILE82C, ILE83B, ILE83C, ILE91B, ILE91C, LEU58B, LEU78B, LEU78C, LYS92B, LYS92C, MET32C, PHE74B, PHE74C, PHE79B, SER39B, THR87B, THR87C, TRP85B, TRP85C, TRP94C, TYR86B, TYR86C, TYR93B, TYR93C, VAL54B, VAL54C
• D-A: ALA46D, ALA80A, ALA80D, ALA88A, ALA88D, ARG95D, GLN81A, GLN81D, GLN90A, GLN90D, GLU45D, GLU76D, GLU89A, GLU89D, GLY77A, GLY77D, HIS84A, HIS84D, ILE48D, ILE82A, ILE82D, ILE83A, ILE83D, ILE91A, ILE91D, LEU58D, LEU78A, LEU78D, LYS92A, LYS92D, MET32A, PHE74A, PHE74D, PHE79D, PRO49D, THR87A, THR87D, TRP85A, TRP85D, TRP94A, TYR86A, TYR86D, TYR93A, TYR93D, VAL54D
• D-B: ALA55B, ALA55D, ALA62B, ALA62D, ALA72B, ALA72D, ALA80B, ALA80D, ASP71B, ASP71D, GLN81B, GLN81D, GLU76B, GLU76D, GLY77B, GLY77D, HIS84B, HIS84D, ILE82B, ILE82D, ILE83B, ILE83D, LEU58B, LEU58D, LEU78B, LEU78D, PHE74B, PHE74D, PHE79B, PHE79D, PRO59B, PRO59D, PRO73B, PRO73D, VAL54B, VAL54D, VAL75B, VAL75D
• A-B: ALA11A, ALA11B, ALA16A, ALA16B, ALA27A, ALA27B, ALA37A, ALA37B, ALA38A, ALA38B, ALA43A, ALA62A, ALA62B, ALA65A, ALA65B, ALA72A, ALA72B, ALA80A, ALA80B, ARG14A, ARG14B, ARG19A, ARG19B, ARG30A, ARG30B, ARG31A, ARG31B, ARG40A, ARG40B, ARG53B, ARG61A, ARG61B, ARG63A, ARG63B, ASN68A, ASN68B, ASP12A, ASP12B, ASP18A, ASP18B, ASP21A, ASP21B, ASP23A, ASP23B, ASP33A, ASP33B, ASP6A, ASP71A, ASP71B, CYS7A, GLN26A, GLN26B, GLN81A, GLN81B, GLN90B, GLU15A, GLU15B, GLU52B, GLU5A, GLU60A, GLU60B, GLU66A, GLU66B, GLU67A, GLU67B, GLU76A, GLU76B, GLU89A, GLU89B, GLY29A, GLY29B, GLY69A, GLY69B, GLY77A, GLY77B, GLY9A, HIS84A, HIS84B, ILE13A, ILE13B, ILE17A, ILE17B, ILE20A, ILE20B, ILE24A, ILE24B, ILE82A, ILE82B, ILE83A, ILE83B, LEU10A, LEU10B, LEU22A, LEU22B, LEU28A, LEU28B, LEU58A, LEU58B, LEU70A, LEU70B, LEU78A, LEU78B, LYS2A, LYS36A, LYS36B, LYS42A, LYS92A, LYS92B, MET32A, MET32B, MET57A, MET57B, PHE41A, PHE41B, PHE74A, PHE74B, PHE79A, PHE79B, PRO4A, PRO51B, PRO73A, PRO73B, SER39A, SER39B, THR3A, THR8A, TRP64A, TRP64B, TRP85A, TRP85B, TYR34A, TYR34B, TYR86A, TYR86B, VAL25A, VAL25B, VAL35A, VAL35B, VAL54B, VAL75A, VAL75B