2C8F

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

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: F-G
  • Int. Res.: 40
  • Norm. En. per Res.: -1.8115
• 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	-16.9065	17.6816	-79.2783	-78.5033	53	1	0	3573	2	8	9
E-G	0.0	0.0	-0.023	-0.023	7	0	0	24	0	3	2
F-G	-14.3072	2.9834	-61.1359	-72.4597	40	1	1	2598	0	34	26

Interface residues

• E-F: ALA184E, ALA55E, ALA57F, ALA61F, ARG229F, ASN123F, ASN179E, ASN179F, ASN44F, ASN51E, ASN51F, ASN60F, ASP233E, ASP53E, ASP53F, GLN182E, GLN236E, GLN47E, GLN47F, GLN54E, GLN54F, GLU122F, GLU48E, GLU48F, GLY185E, ILE124F, ILE189E, ILE52E, ILE52F, LEU177E, LEU213E, LYS191F, LYS193F, LYS235E, LYS56F, MET125F, MET178E, MET178F, PHE127E, PHE127F, PHE183E, PHE49E, PHE49F, SER181E, SER231E, SER232E, THR240F, THR45F, THR50E, THR50F, TRP58F, TYR46F, VAL180E
• E-G: ALA57E, ASP233G, ASP53E, GLN54E, LYS152G, LYS64E, SER232G
• F-G: ALA158F, ALA158G, ALA160F, ALA160G, ARG229G, ASN164F, ASN164G, ASN44F, ASP166F, ASP166G, ASP226F, ASP226G, ASP227F, ASP227G, GLU156F, GLU156G, HIS224F, HIS224G, ILE225F, ILE225G, LEU163F, LEU163G, LYS152G, LYS157F, LYS157G, LYS159F, LYS159G, LYS161F, LYS161G, LYS165F, LYS165G, LYS193F, LYS193G, MET228F, MET228G, PHE162F, PHE162G, THR153G, THR240F, THR242F