2UV0

structure of the p. aeruginosa lasr ligand-binding domain bound to its autoinducer

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: E-G
  • Int. Res.: 82
  • Norm. En. per Res.: -4.5403
• Hub Node: E(2)

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
E-G	-72.8018	-38.9845	-260.519	-372.3053	82	9	6	9017	5	18	19
E-H	0.0	-11.3679	-23.5561	-34.9239	25	0	0	1323	0	12	14
F-G	-6.5193	-40.9767	-87.0492	-134.5452	41	2	0	3525	2	21	20
F-H	-54.1758	-19.5772	-246.869	-320.622	80	6	6	8833	6	18	19
G-H	0.0	0.0	-0.002	-0.002	2	0	0	1	0	0	0

Interface residues

• E-G: ALA121E, ALA121G, ALA158E, ALA158G, ALA163E, ALA163G, ARG122E, ARG122G, ASP156E, ASP156G, ASP43E, ASP43G, CYS79E, CYS79G, GLN160E, GLN160G, GLN81E, GLN81G, GLU11E, GLU11G, GLU124E, GLU124G, GLU145E, GLU168E, GLY120E, GLY120G, GLY123E, GLY123G, GLY126E, GLY126G, HIS119E, HIS119G, HIS78E, HIS78G, LEU118E, LEU118G, LEU125E, LEU125G, LEU148E, LEU148G, LEU151E, LEU151G, LEU154E, LEU154G, LEU159E, LEU159G, LEU3G, LEU84E, LEU84G, LYS155E, LYS155G, LYS42E, LYS42G, PHE7E, PHE7G, PHE87E, PHE87G, PRO117E, PRO117G, PRO149E, PRO149G, PRO85E, PRO85G, SER161E, SER161G, SER44E, SER44G, SER77E, SER77G, SER82E, SER82G, THR150E, THR150G, THR80E, THR80G, TRP152E, TRP152G, TYR157E, TYR157G, VAL4G, VAL83E, VAL83G
• E-H: ALA138H, ALA140H, ALA163E, ALA166E, ARG122E, ARG142H, ASN136H, ASN49E, ASP43E, ASP46E, GLU124E, GLU135H, GLU139H, GLU145H, GLU168E, GLY31H, LEU30H, LEU40E, LYS42E, PHE143H, PHE167E, PRO41E, SER146H, SER44E, VAL147H
• F-G: ALA134F, ALA140F, ALA27F, ALA67G, ARG142F, ARG66G, ARG71G, ARG96G, ASP29F, ASP5F, GLN45G, GLN94G, GLN98G, GLU100G, GLU103G, GLU133F, GLU135F, GLU139F, GLU145F, GLY31F, GLY68G, HIS99G, LEU148F, LEU30F, LYS25F, LYS97G, PHE143F, PHE32F, SER131F, SER146F, SER28F, SER33F, SER91G, THR150F, THR95G, TYR112F, TYR69G, TYR93G, VAL132F, VAL147F, VAL72G
• F-H: ALA121F, ALA121H, ALA158F, ALA158H, ALA163F, ALA163H, ARG122F, ARG122H, ASP156F, ASP156H, ASP43F, ASP43H, CYS79F, CYS79H, GLN160F, GLN160H, GLN45F, GLN81F, GLN81H, GLU11F, GLU11H, GLU124F, GLU124H, GLU145F, GLY120F, GLY120H, GLY123F, GLY123H, GLY126H, HIS119F, HIS119H, HIS78F, HIS78H, LEU118F, LEU118H, LEU125F, LEU125H, LEU148F, LEU148H, LEU151H, LEU154F, LEU154H, LEU159F, LEU159H, LEU3H, LEU84F, LEU84H, LEU8F, LYS155F, LYS155H, LYS42F, LYS42H, PHE7F, PHE7H, PHE87F, PHE87H, PRO117F, PRO117H, PRO149F, PRO149H, PRO85F, PRO85H, SER161F, SER161H, SER44H, SER77F, SER77H, SER82F, SER82H, THR150F, THR150H, THR80F, THR80H, TRP152F, TRP152H, TYR157F, TYR157H, VAL4H, VAL83F, VAL83H
• G-H: GLN81G, SER146H