3PJ9

crystal structure of a nucleoside diphosphate kinase from campylobacter jejuni

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 81
  • Norm. En. per Res.: -4.4728
• 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	-29.0997	-21.8988	-81.4096	-132.4081	51	4	0	3787	4	26	30
A-D	-120.3694	-32.9767	-208.953	-362.2991	81	8	5	8283	4	27	30
B-C	-101.9697	-30.1131	-209.92	-342.0027	80	9	5	8451	3	28	30
B-D	0.0	0.0	-1.3793	-1.3793	9	0	0	95	1	6	3

Interface residues

• A-B: ALA103A, ALA123B, ALA80B, ALA90B, ALA96A, ALA98A, ARG24A, ARG85A, ARG85B, ASN122B, ASN28A, ASN84B, ASP104A, ASP118B, ASP23A, ASP86A, ASP86B, GLU121B, GLU26A, GLU2B, GLU78A, GLU78B, GLY29A, GLY77B, GLY79A, GLY79B, GLY89A, GLY89B, GLY99A, ILE101A, LEU120B, LEU30A, LEU82A, LEU82B, LEU87A, LEU87B, LYS124B, LYS83A, LYS83B, LYS97A, LYS97B, MET1B, MET88A, MET88B, PHE25A, SER119B, SER27A, THR100A, THR100B, THR91B, VAL81B
• A-D: ALA12A, ALA12D, ALA33A, ALA33D, ALA34A, ALA34D, ARG24A, ARG24D, ARG31A, ARG31D, ASN134D, ASN28A, ASP23A, ASP23D, CYS137D, GLN39A, GLN39D, GLN44D, GLU135A, GLU135D, GLU26A, GLU26D, GLU76D, GLY16A, GLY16D, GLY19A, GLY19D, GLY68A, ILE136A, ILE136D, ILE18A, ILE18D, ILE21A, ILE21D, ILE32A, ILE32D, ILE74A, ILE74D, ILE8A, ILE8D, LEU22A, LEU22D, LEU30A, LEU30D, LEU40A, LYS132D, LYS14A, LYS14D, LYS15A, LYS15D, LYS20A, LYS20D, LYS36A, LYS36D, LYS37A, LYS37D, MET35A, MET35D, PHE131A, PHE131D, PHE25A, PHE25D, PRO69A, PRO69D, SER27A, SER27D, SER41D, SER73A, SER73D, VAL13A, VAL13D, VAL17A, VAL17D, VAL38A, VAL38D, VAL70A, VAL70D, VAL71A, VAL71D, VAL72A, VAL72D
• B-C: ALA12B, ALA12C, ALA33B, ALA33C, ALA34B, ALA34C, ARG24B, ARG24C, ARG31B, ARG31C, ASN134B, ASN28B, ASP23B, ASP23C, CYS137B, CYS137C, GLN39B, GLN39C, GLU135B, GLU135C, GLU26B, GLU26C, GLU76B, GLY16B, GLY16C, GLY19B, GLY19C, GLY68C, ILE136B, ILE136C, ILE18B, ILE18C, ILE21B, ILE21C, ILE32B, ILE32C, ILE74B, ILE74C, ILE8B, ILE8C, LEU22B, LEU22C, LEU30B, LEU30C, LEU40C, LYS14B, LYS14C, LYS15B, LYS15C, LYS20B, LYS20C, LYS36B, LYS36C, LYS37B, LYS37C, MET35B, MET35C, PHE105C, PHE131B, PHE131C, PHE25B, PHE25C, PRO69B, PRO69C, SER27B, SER27C, SER73B, SER73C, VAL13B, VAL13C, VAL17B, VAL17C, VAL38B, VAL38C, VAL70B, VAL70C, VAL71B, VAL71C, VAL72B, VAL72C
• B-D: ALA98D, ASN122B, GLU121B, GLU54B, GLY16D, LYS15D, LYS20D, SER119B, VAL17D