2C8E

structure of the artt motif e214n mutant c3bot1 exoenzyme (free state, crystal form iii)

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 62
  • Norm. En. per Res.: -1.7267
• 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-F	-21.0336	13.3232	-99.347	-107.0574	62	5	0	4222	4	9	10
E-G	0.0	-1.8753	-0.7998	-2.6752	9	0	0	166	0	3	4
F-G	-6.4792	7.282	-61.2977	-60.4949	37	2	1	2500	0	30	26

Interface residues

• E-F: ALA184E, ALA55E, ALA55F, ALA57F, ALA61F, ARG186E, ARG229E, ARG229F, ASN123F, ASN179E, ASN179F, ASN51E, ASN51F, ASN60F, ASP233E, ASP53E, ASP53F, GLN182E, GLN236E, GLN47E, GLN47F, GLN54E, GLN54F, GLU122F, GLU48E, GLU48F, GLY185E, GLY234E, ILE124F, ILE189E, ILE238E, ILE238F, ILE52E, ILE52F, LEU177E, LEU213E, LYS191E, LYS191F, LYS193F, LYS235E, LYS56E, LYS56F, MET125E, MET125F, MET178E, MET178F, PHE127E, PHE127F, PHE183E, PHE49E, PHE49F, SER181E, SER231E, SER232E, SER232F, THR240F, THR45F, THR50E, THR50F, TRP58F, TYR46F, VAL180E
• E-G: ALA57E, ALA61E, ASP233G, GLN54E, GLY234G, LYS152G, LYS64E, SER232G, TRP58E
• F-G: ALA158F, ALA158G, ALA160F, ALA160G, ARG229F, ARG229G, ASN164F, ASN164G, ASP166F, ASP166G, ASP226F, ASP226G, ASP227F, ASP227G, GLU156F, GLU156G, HIS224F, HIS224G, ILE225F, ILE225G, LEU163F, LEU163G, LYS157F, LYS157G, LYS159F, LYS159G, LYS161F, LYS161G, LYS165F, LYS165G, LYS193F, MET228F, MET228G, PHE155F, PHE162F, PHE162G, THR240F