3RD4

crystal structure of propen_03304 from proteus penneri atcc 35198 northeast structural genomics consortium target id pvr55

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 66
  • Norm. En. per Res.: -3.899
• Hub Node: A(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
A-B	0.0	0.0	-6.7383	-6.7383	16	1	0	431	0	4	4
A-C	0.0	12.5935	-2.0526	10.5409	27	0	0	375	0	19	13
A-D	-55.9638	2.4151	-165.477	-219.0257	62	27	3	6602	3	24	25
B-C	-59.0792	-3.1709	-146.077	-208.3271	61	26	3	6258	2	28	30
B-D	-88.9291	-12.8859	-155.516	-257.331	66	30	4	6493	7	30	31
C-D	0.0	0.0	-0.5374	-0.5374	6	0	0	99	0	2	2

Interface residues

• A-B: ALA18A, ALA19A, ARG22B, ARG25B, ASN20A, ASP13A, ASP51A, GLN39A, ILE17A, ILE34A, LYS15A, SER24B, THR35A, THR41A, TYR37A, VAL53A
• A-C: ALA18A, ARG23C, ARG43A, ARG78C, ASN55C, ASP13A, ASP57C, GLN75C, GLU10A, GLU16A, GLU21C, GLU33C, GLU67A, HIS36C, ILE12A, ILE17A, ILE56C, LYS15A, LYS58C, LYS69A, PHE79C, PRO32C, THR30C, THR35C, TYR37C, TYR38C, VAL80C
• A-D: ALA18D, ALA19A, ALA19D, ALA2A, ARG22D, ARG23D, ARG43A, ARG49A, ARG78A, ASN20D, ASN55A, ASP13D, ASP48A, ASP51A, GLN39A, GLN39D, GLN62D, GLN75A, GLU16D, GLU21D, GLU33D, GLU65D, GLY31D, GLY76A, HIS36A, HIS36D, ILE12A, ILE12D, ILE17A, ILE17D, ILE34D, ILE56A, ILE64D, LEU44A, LEU52A, LEU54A, LYS14D, LYS15D, LYS50A, MET74A, PHE42A, PHE79A, PRO32D, PRO3A, PRO66D, SER24D, SER77A, THR30D, THR35A, THR35D, THR41A, TYR37A, TYR37D, TYR38D, TYR61D, TYR7A, VAL11D, VAL29D, VAL40A, VAL4A, VAL53A, VAL80A
• B-C: ALA18B, ALA18C, ALA19B, ALA19C, ARG22B, ARG22C, ARG23C, ARG43B, ARG49B, ARG78B, ASN20C, ASN55B, ASP13C, ASP48B, ASP51B, GLN39B, GLN39C, GLN75B, GLU16B, GLU16C, GLU21B, GLU21C, GLU33C, GLU65C, GLU67C, GLY31C, GLY76B, HIS36B, HIS36C, ILE12B, ILE12C, ILE17B, ILE17C, ILE34C, ILE56B, ILE64C, LEU44B, LEU52B, LEU54B, LYS14C, LYS15B, LYS15C, LYS50B, MET74B, PHE42B, PHE79B, PRO32C, PRO66C, SER77B, THR35B, THR35C, THR41B, TYR37B, TYR37C, TYR38B, TYR38C, TYR61C, VAL11C, VAL40B, VAL40C, VAL53B
• B-D: ALA18B, ALA18D, ALA19B, ALA19D, ARG22B, ARG22D, ARG23B, ARG25B, ARG43D, ARG49D, ARG78D, ASN20B, ASN20D, ASN55D, ASP13B, ASP48D, ASP51D, GLN39B, GLN39D, GLN62B, GLU16B, GLU16D, GLU21B, GLU21D, GLU33B, GLU33D, GLU65B, GLU67B, GLY76D, HIS36B, HIS36D, ILE12B, ILE12D, ILE17B, ILE17D, ILE34B, ILE34D, ILE56D, ILE64B, LEU44D, LEU52D, LEU54D, LEU72D, LYS14B, LYS15B, LYS15D, LYS50D, LYS58B, MET74D, PHE42D, PHE79D, PRO32B, PRO66B, SER24B, SER77D, THR35B, THR35D, THR41D, TYR37B, TYR37D, TYR38B, TYR38D, TYR61B, VAL11B, VAL40D, VAL53D
• C-D: ARG22C, ARG43D, ASP51D, GLN39D, THR41D, VAL53D