3LBF

crystal structure of protein l-isoaspartyl methyltransferase from escherichia coli

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 66
  • Norm. En. per Res.: -2.4754
• 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	-61.0381	34.7342	-137.073	-163.3769	66	8	4	6297	0	22	21
A-C	-10.1852	15.7845	-62.002	-56.4027	40	3	2	2349	0	17	12
B-C	-9.1074	21.813	-37.3304	-24.6248	42	2	0	1994	0	21	14
B-D	0.0	-4.2103	-1.9119	-6.1222	14	0	0	179	0	10	7
C-D	-42.7657	45.9637	-134.759	-131.561	65	8	4	5886	0	22	22

Interface residues

• A-B: ALA157A, ALA157B, ARG181A, ARG181B, ARG183A, ARG183B, ARG184A, ARG184B, ARG185A, ARG185B, ASP192A, ASP192B, GLN134A, GLN134B, GLN177A, GLN177B, GLU153A, GLU153B, GLU174A, GLU174B, GLU175A, GLU175B, GLU188A, GLU188B, GLY173A, GLY173B, GLY187A, GLY187B, HIS176A, HIS176B, ILE154A, ILE154B, ILE190A, ILE190B, ILE191A, ILE191B, LEU158A, LEU158B, LYS180A, LYS180B, LYS204A, LYS204B, MET159A, MET159B, PHE189A, PHE189B, PRO151A, PRO151B, PRO152A, PRO152B, PRO155A, PRO155B, THR156A, THR156B, THR160A, THR160B, THR193A, THR193B, TRP133A, TRP133B, TYR178A, TYR178B, VAL172A, VAL172B, VAL182A, VAL182B
• A-C: ALA15A, ALA15C, ALA196A, ALA8C, ARG14A, ARG14C, ARG181A, ARG4C, ARG5C, ARG66A, ASN47C, ASP11C, ASP192A, ASP46C, GLN12C, GLN16A, GLN16C, GLN177A, GLN19A, GLN19C, GLN7C, GLU195A, GLY17A, GLY17C, HIS176A, ILE18A, ILE18C, LEU10C, LEU13A, LEU13C, LEU179A, LEU9C, LYS180A, SER3C, THR193A, TYR178A, TYR62A, VAL194A, VAL197A, VAL2C
• B-C: ALA140B, ALA15C, ALA196C, ALA49C, ARG184B, ARG185B, ARG198C, ARG66C, ARG78B, ASN47C, ASP143B, ASP163B, GLN12C, GLN16C, GLN60C, GLN76B, GLN98B, GLU164B, GLU188B, GLU195C, GLY165B, GLY166B, GLY17C, GLY186B, GLY187B, HIS176C, ILE48C, LEU13C, LEU162B, LEU179C, MET63C, PHE189B, PRO141B, PRO75B, SER77B, THR160B, THR193C, THR74B, TYR178C, TYR62C, VAL194C, VAL197C
• B-D: ARG184D, ASN124B, ASP163D, GLN137D, GLN76B, GLN98B, GLU164D, GLY186D, GLY187D, HIS123B, HIS99B, PRO141D, PRO75B, THR160D
• C-D: ALA157C, ALA157D, ARG181C, ARG181D, ARG183C, ARG183D, ARG184C, ARG184D, ARG185C, ARG185D, ASP192C, ASP192D, GLN134C, GLN134D, GLN177C, GLN177D, GLU153C, GLU153D, GLU174C, GLU174D, GLU175C, GLU188C, GLU188D, GLY173C, GLY173D, GLY187C, GLY187D, HIS176C, HIS176D, ILE154C, ILE154D, ILE190C, ILE190D, ILE191C, ILE191D, LEU158C, LEU158D, LYS180C, LYS180D, LYS204C, LYS204D, MET159C, MET159D, PHE189C, PHE189D, PRO151C, PRO151D, PRO152C, PRO152D, PRO155C, PRO155D, THR156C, THR156D, THR160C, THR160D, THR193C, THR193D, TRP133C, TRP133D, TYR178C, TYR178D, VAL172C, VAL172D, VAL182C, VAL182D