2FQ1

crystal structure of the two-domain non-ribosomal peptide synthetase entb containing isochorismate lyase and aryl-carrier protein domains

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 129
  • Norm. En. per Res.: -4.1381
• Hub Node: A(1)

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	-45.1107	-37.7348	-450.964	-533.8095	129	13	2	15919	12	61	50

Interface residues

• A-B: ALA128A, ALA128B, ALA153A, ALA153B, ALA161B, ALA164A, ALA164B, ALA194A, ALA194B, ALA89A, ALA89B, ARG125A, ARG125B, ARG131A, ARG131B, ARG167A, ARG167B, ARG196A, ARG196B, ARG199A, ARG199B, ARG88A, ARG88B, ASN144A, ASN144B, ASN20A, ASN20B, ASN92A, ASN92B, ASP163A, ASP163B, ASP168A, ASP168B, ASP180A, ASP180B, ASP184B, ASP23A, ASP23B, ASP87A, ASP87B, ASP93A, ASP93B, CYS157A, CYS157B, GLN145A, GLN145B, GLU135A, GLU135B, GLU185A, GLU185B, GLU86A, GLU86B, GLY156A, GLY156B, GLY195A, GLY195B, GLY198A, GLY198B, GLY96A, GLY96B, HIS130A, HIS130B, HIS154A, HIS154B, ILE155A, ILE155B, ILE169A, ILE169B, LEU6A, LEU6B, LEU90A, LEU90B, LEU91A, LEU91B, LYS123A, LYS123B, LYS170A, LYS170B, LYS191A, LYS191B, LYS21A, LYS21B, MET158A, MET158B, MET166A, MET166B, MET188A, MET188B, MET94A, MET94B, PHE129A, PHE129B, PHE165A, PHE165B, PHE181A, PHE181B, PRO171A, PRO171B, PRO4B, SER127A, SER127B, SER182A, SER182B, SER189A, SER189B, SER197A, SER197B, THR159A, THR159B, THR160A, THR160B, THR162A, THR162B, TRP124A, TRP124B, TRP24A, TRP24B, TRP95A, TRP95B, TYR126A, TYR126B, TYR152A, TYR152B, TYR192A, TYR192B, VAL193A, VAL193B, VAL22A, VAL22B