2PWF

crystal structure of the mutb d200a mutant in complex with glucose

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 28
  • Norm. En. per Res.: -3.2789
• 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	-17.9064	-6.5223	-67.3795	-91.8082	28	4	0	2413	0	8	9
A-D	-9.7303	-44.1503	-60.6837	-114.5643	48	2	0	2663	4	35	29
B-D	0.0	-13.8284	-12.1045	-25.9329	23	0	0	550	2	9	11
C-D	-15.2691	-7.9676	-63.5157	-86.7524	28	3	0	2395	2	9	9

Interface residues

• A-B: ALA117A, ALA117B, ARG116A, ARG124A, ARG124B, ASN121A, ASP120A, ASP120B, ASP153A, ASP153B, GLN158A, GLN158B, GLY135B, GLY157A, GLY157B, LYS119A, LYS119B, LYS152B, PRO122A, PRO154A, PRO154B, SER118A, SER118B, THR156A, THR156B, TYR159B, VAL155A, VAL155B
• A-D: ALA288D, ALA400D, ALA402D, ARG179A, ARG234A, ARG270A, ARG271A, ARG287D, ARG297D, ASN231A, ASN408D, ASP174A, ASP245A, ASP268A, ASP286D, GLN237A, GLU238A, GLU241A, GLU273A, GLU396D, GLU403D, GLU404D, GLY398D, HIS233A, HIS246A, HIS293D, ILE295D, LEU265A, LEU289D, LEU411D, LYS220D, LYS242A, LYS272A, LYS399D, PRO176A, PRO230A, PRO264A, PRO296D, SER269A, THR294D, THR397D, THR401D, THR407D, TRP292D, TYR235A, TYR316A, TYR394D, VAL395D
• B-D: ALA117B, ALA542D, ARG514D, ASN121B, ASN488D, ASP520D, GLU110B, GLU181B, GLU545D, GLY521D, LEU518D, LEU544D, LYS113B, LYS177B, PHE516D, PRO122B, PRO519D, SER114B, SER515D, SER543D, THR517D, TYR123B, TYR126B
• C-D: ALA117C, ALA117D, ARG116C, ARG116D, ARG124C, ARG124D, ASN121C, ASP120C, ASP120D, ASP153C, ASP153D, GLN158C, GLN158D, GLY157C, GLY157D, LYS119C, LYS119D, LYS152D, PRO122C, PRO154C, PRO154D, SER118C, SER118D, THR156C, THR156D, TYR159D, VAL155C, VAL155D