3LF0

crystal structure of the atp bound mycobacterium tuberculosis nitrogen regulatory pii protein

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 94
  • Norm. En. per Res.: -5.1816
• 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	-135.2878	-55.7896	-295.997	-487.0744	94	21	10	12065	6	24	35
A-C	-104.7434	-27.6339	-329.978	-462.3553	102	18	9	13540	3	26	35
B-C	-123.7185	-34.4596	-304.612	-462.7901	99	20	9	12550	4	25	35

Interface residues

• A-B: ALA111B, ALA6A, ALA80A, ALA81A, ARG101B, ARG103B, ARG107B, ARG38A, ARG60A, ARG60B, ARG79A, ARG82A, ASP110B, ASP14B, ASP54A, ASP67A, ASP71A, ASP75A, ASP88A, ASP97A, ASP97B, GLN34A, GLU106B, GLU21B, GLU32A, GLU32B, GLU62A, GLU62B, GLY105B, GLY108B, GLY27B, GLY35A, GLY37A, GLY84A, GLY87A, GLY89A, HIS109B, ILE33A, ILE33B, ILE4A, ILE61B, ILE77A, ILE7A, ILE86A, ILE99B, LEU112B, LEU13B, LEU20B, LEU26B, LEU3A, LEU3B, LYS17B, LYS2A, LYS58A, LYS85A, LYS90A, LYS9A, MET1A, MET1B, MET28B, PHE55A, PRO57A, PRO95A, PRO95B, SER31A, SER31B, SER94A, SER94B, THR104B, THR12A, THR29B, THR5A, THR5B, THR83A, THR98B, TRP92A, TYR36A, VAL100B, VAL102B, VAL16A, VAL30B, VAL56A, VAL59A, VAL59B, VAL63B, VAL64B, VAL70A, VAL74A, VAL78A, VAL8A, VAL91A, VAL93A, VAL96A, VAL96B
• A-C: ALA111A, ALA6C, ALA80C, ALA81C, ARG101A, ARG103A, ARG107A, ARG38C, ARG60A, ARG60C, ARG79C, ARG82C, ASP110A, ASP14A, ASP54C, ASP67C, ASP71C, ASP75C, ASP88C, ASP97A, GLN34C, GLU106A, GLU21A, GLU32A, GLU32C, GLU62A, GLU62C, GLY105A, GLY108A, GLY27A, GLY35C, GLY37C, GLY84C, GLY87C, GLY89C, HIS109A, ILE33A, ILE33C, ILE4C, ILE61A, ILE77C, ILE7C, ILE86C, ILE99A, LEU112A, LEU13A, LEU20A, LEU26A, LEU3A, LEU3C, LYS17A, LYS2C, LYS58A, LYS58C, LYS85C, LYS90C, LYS9C, MET1A, MET1C, MET28A, PHE55C, PRO10A, PRO57C, PRO95A, PRO95C, SER-1A, SER31A, SER31C, SER52C, SER94A, SER94C, THR104A, THR12C, THR18A, THR29A, THR5A, THR5C, THR83C, THR98A, TRP92C, TYR36C, TYR51C, VAL100A, VAL102A, VAL16A, VAL16C, VAL25A, VAL30A, VAL53C, VAL56C, VAL59A, VAL59C, VAL63A, VAL64A, VAL70C, VAL74C, VAL78C, VAL8C, VAL91C, VAL93C, VAL96A, VAL96C
• B-C: ALA111C, ALA6B, ALA80B, ALA81B, ARG101C, ARG103C, ARG107C, ARG38B, ARG60B, ARG60C, ARG79B, ARG82B, ASP110C, ASP14C, ASP54B, ASP67B, ASP71B, ASP75B, ASP88B, ASP97C, GLN34B, GLN39B, GLU106C, GLU21C, GLU32B, GLU32C, GLU62B, GLU62C, GLY105C, GLY108C, GLY27C, GLY35B, GLY37B, GLY41B, GLY84B, GLY87B, GLY89B, HIS0B, HIS109C, ILE33B, ILE33C, ILE4B, ILE4C, ILE61C, ILE77B, ILE7B, ILE86B, ILE99C, LEU112C, LEU13C, LEU20C, LEU26C, LEU3B, LEU3C, LYS17C, LYS2B, LYS58B, LYS72B, LYS85B, LYS90B, LYS9B, MET1B, MET1C, MET28C, PHE55B, PRO57B, PRO95B, PRO95C, SER31B, SER31C, SER94B, SER94C, THR104C, THR12B, THR18C, THR29C, THR5B, THR5C, THR83B, THR98C, TRP92B, TYR36B, VAL100C, VAL102C, VAL16B, VAL25C, VAL30C, VAL56B, VAL59C, VAL63C, VAL64C, VAL70B, VAL74B, VAL78B, VAL8B, VAL91B, VAL93B, VAL96B, VAL96C