1N3B

crystal structure of dephosphocoenzyme a kinase from escherichia coli

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 86
  • Norm. En. per Res.: -2.5969
• 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	-46.9963	5.5728	-181.909	-223.3325	86	5	1	7116	0	27	21
A-C	-57.3519	18.5876	-149.613	-188.3773	78	7	1	5798	0	21	20
B-C	-38.5705	8.3356	-176.382	-206.6169	80	6	1	6780	0	25	19

Interface residues

• A-B: ALA124B, ALA157A, ALA158A, ALA160A, ALA164A, ALA167A, ALA167B, ALA169A, ALA86B, ARG126B, ARG149A, ARG162A, ARG165A, ARG2B, ASN118A, ASN125B, ASN175A, ASN176A, ASN82A, ASN82B, ASP131A, ASP170B, ASP174A, GLN101B, GLN137A, GLN154A, GLN159A, GLN199B, GLN203B, GLN93B, GLN94B, GLN97B, GLU117A, GLU135A, GLU150A, GLU153A, GLU163A, GLU204B, GLU79A, GLU79B, GLY177A, HIS151A, HIS98B, ILE100B, ILE155A, ILE173A, ILE4B, LEU114A, LEU115A, LEU120A, LEU120B, LEU138A, LEU156A, LEU166A, LEU196B, LEU87B, LYS122A, LYS122B, LYS123B, LYS139A, LYS205B, LYS81A, PHE200B, PRO134A, PRO206B, PRO78A, PRO90B, SER119A, SER119B, SER133A, SER202B, THR136A, THR161A, TRP110B, TRP83B, TYR121A, TYR121B, TYR3B, VAL116A, VAL127B, VAL129A, VAL132A, VAL168A, VAL168B, VAL172A, VAL201B
• A-C: ALA124A, ALA157C, ALA158C, ALA160C, ALA164C, ALA167A, ALA167C, ALA86A, ARG126A, ARG149C, ARG162C, ARG165C, ARG2A, ARG2A5, ASN118C, ASN125A, ASN175C, ASN176C, ASN82A, ASN82C, ASN85A, ASP131C, ASP170A, ASP174C, CB9.73700-8.92854, GLN101A, GLN137C, GLN154C, GLN159C, GLN199A, GLN203A, GLN93A, GLN97A, GLU117C, GLU135C, GLU150C, GLU153C, GLU163C, GLU204A, GLU79C, GLY177C, ILE100A, ILE155C, ILE4A, LEU114C, LEU115C, LEU120A, LEU120C, LEU138C, LEU156C, LEU166C, LEU196A, LEU87A, LYS122A, LYS122C, LYS123A, LYS81C, PHE200A, PRO134C, PRO78C, PRO90A, SER119A, SER119C, SER133C, SER202A, THR136C, THR161C, TRP110A, TRP83A, TYR121A, TYR121C, TYR3A, VAL116C, VAL127A, VAL132C, VAL168A, VAL168C, VAL201A
• B-C: ALA124C, ALA157B, ALA158B, ALA160B, ALA164B, ALA167B, ALA167C, ALA86C, ARG126C, ARG149B, ARG162B, ARG165B, ARG2C, ASN118B, ASN125C, ASN175B, ASN176B, ASP131B, ASP170C, ASP174B, GLN101C, GLN137B, GLN154B, GLN159B, GLN199C, GLN203C, GLN93C, GLN94C, GLN97C, GLU117B, GLU135B, GLU150B, GLU153B, GLU163B, GLU204C, GLY177B, HIS151B, HIS98C, ILE100C, ILE155B, ILE173B, ILE4C, LEU114B, LEU115B, LEU120B, LEU120C, LEU138B, LEU156B, LEU166B, LEU196C, LEU87C, LYS122B, LYS122C, LYS123C, LYS139B, LYS205C, PHE200C, PRO134B, PRO206C, PRO78B, PRO90C, SER119B, SER119C, SER133B, SER202C, THR136B, THR161B, TRP110C, TYR121B, TYR121C, TYR3C, VAL116B, VAL127C, VAL129B, VAL132B, VAL152B, VAL168B, VAL168C, VAL172B, VAL201C