2VES

crystal structure of lpxc from pseudomonas aeruginosa complexed with the potent bb-78485 inhibitor

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 59
  • Norm. En. per Res.: -2.7328
• Hub Node: A(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
A-B	-7.5743	20.0585	-110.835	-98.3509	55	3	0	4247	6	40	41
A-C	-18.2243	-17.3689	-125.643	-161.2361	59	0	1	4715	7	38	44
B-C	-33.0206	-10.7764	-111.004	-154.801	58	9	0	4308	6	40	39

Interface residues

• A-B: ALA144A, ARG143A, ARG166A, ARG166B, ARG168A, ARG195B, ARG201B, ARG258A, ASN204B, ASN220B, ASP141A, ASP159A, ASP161A, ASP161B, ASP196B, ASP218B, GLN170A, GLN171A, GLN203B, GLU134A, GLU138A, GLU139A, GLU157A, GLU198B, GLU219B, GLY167A, GLY259A, HIS162A, HIS162B, ILE158A, ILE197B, LEU200B, LEU266A, LEU270A, LYS142A, LYS261A, MET194B, PHE146A, PHE160A, PHE160B, PHE165A, PHE193B, PHE260A, PRO148A, PRO163A, PRO163B, SER136A, SER202B, THR169A, TYR199B, VAL135A, VAL137A, VAL145A, VAL147A, VAL164B
• A-C: ALA144C, ARG143C, ARG166A, ARG166C, ARG168C, ARG195A, ARG201A, ARG258C, ASN204A, ASN220A, ASP141C, ASP159C, ASP161A, ASP161C, ASP196A, ASP218A, GLN170C, GLN171C, GLN203A, GLU134C, GLU138C, GLU139C, GLU157C, GLU198A, GLU219A, GLU256C, GLY167C, GLY259C, HIS162A, HIS162C, ILE158C, ILE197A, LEU200A, LEU205A, LEU266C, LEU270C, LYS142C, LYS261C, MET194A, MET62A, PHE146C, PHE160A, PHE160C, PHE165C, PHE193A, PHE260C, PRO148C, PRO163A, PRO163C, SER136C, SER202A, THR169C, THR61A, TYR199A, VAL135C, VAL137C, VAL145C, VAL147C, VAL164A
• B-C: ALA144B, ARG143B, ARG166B, ARG166C, ARG168B, ARG195C, ARG201C, ARG258B, ASN204C, ASN220C, ASP141B, ASP159B, ASP161B, ASP161C, ASP196C, ASP218C, GLN170B, GLN171B, GLN203C, GLU134B, GLU138B, GLU139B, GLU157B, GLU198C, GLU219C, GLU256B, GLY167B, GLY259B, HIS162B, HIS162C, ILE158B, LEU200C, LEU205C, LEU266B, LEU270B, LYS142B, LYS261B, MET194C, PHE146B, PHE160B, PHE160C, PHE165B, PHE193C, PHE260B, PRO148B, PRO163B, PRO163C, SER136B, SER155B, SER173B, SER202C, THR169B, TYR199C, VAL135B, VAL137B, VAL145B, VAL147B, VAL164C