1NSQ

mechanism of phosphate transfer by nucleoside diphosphate kinase: x- ray structures of a phospho-histidine intermediate of the enzymes from drosophila and dictyostelium

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 77
  • Norm. En. per Res.: -4.496
• 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	-42.487	-30.6207	-235.197	-308.3047	78	8	2	9051	0	18	15
A-C	-73.2824	-28.5953	-244.312	-346.1896	77	6	2	9019	0	20	15
B-C	-38.6175	-30.812	-234.112	-303.5415	79	7	2	8961	0	18	15

Interface residues

• A-B: ALA147B, ALA3B, ALA98A, ARG106A, ARG115A, ARG19A, ARG28A, ARG28B, ARG89B, ASN116A, ASN4B, ASN70A, ASN83B, ASN96A, ASP108A, ASP108B, ASP149B, ASP15A, ASP99A, CYS110A, GLN112A, GLN18A, GLN31B, GLN90B, GLU153B, GLU27B, GLU30B, GLU80B, GLY103A, GLY103B, GLY107A, GLY107B, GLY114A, GLY16A, GLY33B, GLY72A, GLY81B, GLY88B, GLY93B, ILE105A, ILE105B, ILE111A, ILE117A, ILE151B, LEU101A, LEU101B, LEU21A, LEU82B, LEU92B, LYS13A, LYS148B, LYS24A, LYS32B, LYS35B, LYS86B, MET69A, MET91B, PHE109A, PHE29B, PHE34B, PHE61A, PRO102A, PRO102B, PRO14A, PRO73A, PRO97A, SER100A, SER71A, THR104A, THR104B, THR87B, TRP150B, TRP43A, TYR152B, TYR68A, VAL113A, VAL17A, VAL84B
• A-C: ALA147A, ALA3A, ALA98C, ARG106C, ARG115C, ARG19C, ARG28A, ARG28C, ARG89A, ASN116C, ASN4A, ASN70C, ASN83A, ASN96C, ASP108A, ASP108C, ASP149A, ASP15C, ASP99C, CYS110C, GLN112C, GLN18C, GLN31A, GLN90A, GLU153A, GLU27A, GLU30A, GLU80A, GLY103A, GLY103C, GLY107C, GLY114C, GLY16C, GLY33A, GLY72C, GLY81A, GLY88A, GLY93A, ILE105A, ILE105C, ILE111C, ILE117C, ILE151A, LEU101A, LEU101C, LEU21C, LEU82A, LEU92A, LYS13C, LYS148A, LYS24C, LYS32A, LYS35A, LYS86A, MET69C, MET91A, PHE109C, PHE29A, PHE34A, PRO102A, PRO102C, PRO14C, PRO73C, PRO97C, SER100C, SER71C, THR104A, THR104C, THR87A, TRP150A, TRP43C, TRP79A, TYR152A, TYR68C, VAL113C, VAL17C, VAL84A
• B-C: ALA147C, ALA3C, ALA98B, ARG106B, ARG115B, ARG19B, ARG28B, ARG28C, ARG89C, ASN116B, ASN4C, ASN67B, ASN70B, ASN83C, ASN96B, ASP108B, ASP108C, ASP149C, ASP15B, ASP99B, CYS110B, GLN112B, GLN18B, GLN31C, GLN90C, GLU153C, GLU27C, GLU30C, GLU80C, GLY103B, GLY103C, GLY107B, GLY114B, GLY16B, GLY33C, GLY72B, GLY81C, GLY93C, ILE105B, ILE105C, ILE111B, ILE117B, ILE151C, LEU101B, LEU101C, LEU21B, LEU65B, LEU82C, LEU92C, LYS13B, LYS148C, LYS24B, LYS32C, LYS35C, LYS86C, MET69B, MET91C, PHE109B, PHE29C, PHE34C, PHE61B, PRO102B, PRO102C, PRO14B, PRO73B, PRO97B, SER100B, SER71B, THR104B, THR104C, THR87C, TRP150C, TRP43B, TRP79C, TYR152C, TYR68B, VAL113B, VAL17B, VAL84C