3B62

emre multidrug transporter in complex with p4p, p21 crystal form

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 40
  • Norm. En. per Res.: -0.0618
• 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	0.0	0.0	-2.0872	-2.0872	38	0	0	544	0	0	0
A-D	0.0	0.0	-0.2553	-0.2553	18	0	0	118	0	0	0
B-C	0.0	0.0	-0.2215	-0.2215	17	0	0	110	0	0	0
C-D	0.0	0.0	-2.4701	-2.4701	40	0	0	618	0	0	0

Interface residues

• A-B: ALA48B, ALA52B, ALA59B, ALA61B, CYS95A, GLN49B, GLN81A, GLU25A, GLY26A, GLY57B, GLY65B, GLY90B, GLY97A, ILE101A, ILE58B, ILE68A, ILE71A, ILE89B, ILE94A, LEU51B, LEU74A, LEU83A, LEU93B, LEU99A, LYS22A, MET21A, MET91A, PHE23A, PRO55B, SER24A, SER64A, SER64B, SER72A, SER75A, THR56B, TYR53B, TYR60B, VAL98A
• A-D: ALA42A, ALA42D, ARG29A, ARG29D, CYS39A, CYS39D, CYS41A, GLN49A, GLY35D, ILE38A, ILE38D, LEU46D, THR28D, THR36D, TRP31D, TRP45A, VAL34A, VAL34D
• B-C: ALA42B, ALA42C, ARG29B, ARG29C, CYS39B, CYS41C, GLN49C, GLY35B, ILE38B, ILE38C, LEU46B, THR28B, THR36B, TRP31B, TRP45C, VAL34B, VAL34C
• C-D: ALA48D, ALA52D, ALA59D, ALA61D, CYS95C, GLN49D, GLN81C, GLU25C, GLY26C, GLY57D, GLY65D, GLY90D, GLY97C, ILE101C, ILE58D, ILE68C, ILE71C, ILE89D, ILE94C, LEU51D, LEU74C, LEU83C, LEU93D, LEU99C, LYS22C, MET21C, MET91C, PHE23C, PHE79C, PRO55D, SER24C, SER64C, SER64D, SER72C, SER75C, THR56D, TYR53D, TYR60C, TYR60D, VAL98C