2KDC

nmr solution structure of e. coli diacylglycerol kinase (dagk) in dpc micelles

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 139
  • Norm. En. per Res.: -2.0414
• 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	-14.5259	38.456	-303.275	-279.3449	140	19	24	15592	0	22	22
A-C	-24.9078	38.4387	-297.287	-283.756	139	17	23	15593	0	22	22
B-C	-14.5333	38.4312	-298.091	-274.1931	139	19	24	15550	0	22	22

Interface residues

• A-B: ALA100A, ALA104A, ALA108A, ALA23B, ALA24B, ALA29B, ALA30B, ALA37A, ALA37B, ALA41A, ALA41B, ALA45A, ALA45B, ALA52A, ALA52B, ALA74A, ALA74B, ALA77A, ALA77B, ALA93A, ALA99A, ARG32A, ARG32B, ARG55A, ARG55B, ARG81B, ARG92A, ARG92B, ASN27B, ASN72A, ASN72B, ASP49A, ASP49B, ASP51A, ASP51B, ASP80A, ASP80B, ASP95A, CYS113A, CYS46A, CYS46B, GLN33A, GLN33B, GLU28B, GLU34A, GLU34B, GLU69B, GLU76A, GLU76B, GLU85A, GLU88A, GLY121A, GLY35A, GLY35B, GLY83A, GLY83B, GLY91A, GLY97A, HIS119A, HIS87A, ILE103A, ILE106A, ILE110A, ILE114A, ILE114B, ILE26B, ILE44B, ILE53A, ILE53B, ILE59A, ILE59B, ILE67A, ILE67B, ILE70A, ILE70B, ILE75A, ILE75B, ILE82A, ILE82B, LEU102A, LEU115A, LEU115B, LEU116A, LEU39A, LEU40B, LEU48B, LEU57A, LEU57B, LEU58B, LEU64B, LEU71A, LEU71B, LEU89A, LYS94A, MET63A, MET63B, MET66A, MET66B, MET96A, MET96B, PHE120A, PHE31A, PHE31B, SER118A, SER118B, SER60A, SER60B, SER61B, SER73A, SER73B, SER84A, SER84B, SER98A, THR111A, THR54A, THR54B, TRP112A, TRP117A, TRP25B, TRP47B, TYR86A, VAL101A, VAL107A, VAL109A, VAL36A, VAL38A, VAL42A, VAL42B, VAL43B, VAL50A, VAL50B, VAL56A, VAL56B, VAL62B, VAL65B, VAL68B, VAL78A, VAL78B, VAL79A, VAL79B
• A-C: ALA100C, ALA104C, ALA108C, ALA23A, ALA24A, ALA29A, ALA30A, ALA37C, ALA41A, ALA41C, ALA45A, ALA45C, ALA52A, ALA52C, ALA74A, ALA74C, ALA77A, ALA77C, ALA93C, ALA99C, ARG32A, ARG32C, ARG55A, ARG55C, ARG81A, ARG92A, ARG92C, ASN27A, ASN72A, ASN72C, ASP49A, ASP49C, ASP51A, ASP51C, ASP80A, ASP80C, ASP95C, CYS113C, CYS46A, CYS46C, GLN33A, GLN33C, GLU28A, GLU34A, GLU34C, GLU69A, GLU76A, GLU76C, GLU85C, GLU88C, GLY121C, GLY35A, GLY35C, GLY83A, GLY83C, GLY91C, GLY97C, HIS119C, HIS87C, ILE103C, ILE106C, ILE110C, ILE114A, ILE114C, ILE26A, ILE44A, ILE53A, ILE53C, ILE59A, ILE59C, ILE67A, ILE67C, ILE70A, ILE70C, ILE75A, ILE75C, ILE82A, ILE82C, LEU102C, LEU115A, LEU115C, LEU116C, LEU39C, LEU40A, LEU48A, LEU57A, LEU57C, LEU58A, LEU64A, LEU71A, LEU71C, LEU89C, LYS94C, MET63A, MET63C, MET66A, MET66C, MET96A, MET96C, PHE120C, PHE31A, PHE31C, SER118A, SER118C, SER60A, SER60C, SER61A, SER73A, SER73C, SER84A, SER84C, SER98C, THR111C, THR54A, THR54C, TRP112C, TRP117C, TRP25A, TRP47A, TYR86C, VAL101C, VAL107C, VAL109C, VAL36C, VAL38C, VAL42A, VAL42C, VAL43A, VAL50A, VAL50C, VAL56A, VAL56C, VAL62A, VAL65A, VAL68A, VAL78A, VAL78C, VAL79A, VAL79C
• B-C: ALA100B, ALA104B, ALA108B, ALA23C, ALA24C, ALA29C, ALA30C, ALA37B, ALA41B, ALA41C, ALA45B, ALA45C, ALA52B, ALA52C, ALA74B, ALA74C, ALA77B, ALA77C, ALA93B, ALA99B, ARG32B, ARG32C, ARG55B, ARG55C, ARG81C, ARG92B, ARG92C, ASN27C, ASN72B, ASN72C, ASP49B, ASP49C, ASP51B, ASP51C, ASP80B, ASP80C, ASP95B, CYS113B, CYS46B, CYS46C, GLN33B, GLN33C, GLU28C, GLU34B, GLU34C, GLU69C, GLU76B, GLU76C, GLU85B, GLU88B, GLY121B, GLY35B, GLY35C, GLY83B, GLY83C, GLY91B, GLY97B, HIS119B, HIS87B, ILE103B, ILE106B, ILE110B, ILE114B, ILE114C, ILE26C, ILE44C, ILE53B, ILE53C, ILE59B, ILE59C, ILE67B, ILE67C, ILE70B, ILE70C, ILE75B, ILE75C, ILE82B, ILE82C, LEU102B, LEU115B, LEU115C, LEU116B, LEU39B, LEU40C, LEU48C, LEU57B, LEU57C, LEU58C, LEU64C, LEU71B, LEU71C, LEU89B, LYS94B, MET63B, MET63C, MET66B, MET66C, MET96B, MET96C, PHE120B, PHE31B, PHE31C, SER118B, SER118C, SER60B, SER60C, SER61C, SER73B, SER73C, SER84B, SER84C, SER98B, THR111B, THR54B, THR54C, TRP112B, TRP117B, TRP25C, TRP47C, TYR86B, VAL101B, VAL107B, VAL109B, VAL36B, VAL38B, VAL42B, VAL42C, VAL43C, VAL50B, VAL50C, VAL56B, VAL56C, VAL62C, VAL65C, VAL68C, VAL78B, VAL78C, VAL79B, VAL79C