3F2R

crystal structure of human choline kinase alpha in complex with hemicholinium-3

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 97
  • Norm. En. per Res.: -4.9837
• Hub Node: A(1)

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	-85.255	-103.6041	-294.562	-483.4212	97	15	10	12130	12	22	17

Interface residues

• A-B: ALA176A, ALA185A, ALA185B, ALA188A, ALA188B, ARG104A, ARG190A, ARG190B, ARG204A, ARG204B, ASN243A, ASN243B, ASP138A, CYS95A, CYS95B, GLU139A, GLU180A, GLU180B, GLU189A, GLU189B, GLU206A, GLU206B, GLU245A, GLU245B, GLU97A, GLU97B, GLY101A, GLY137A, GLY198A, GLY198B, GLY203B, ILE186A, ILE186B, ILE199A, ILE199B, LEU179A, LEU179B, LEU187A, LEU187B, LEU196A, LEU196B, LEU205A, LEU205B, LEU93A, LEU93B, LEU99A, LEU99B, LYS195A, LYS195B, LYS239A, LYS239B, LYS244A, LYS244B, LYS247A, LYS247B, LYS96A, LYS96B, MET177A, MET177B, MET183A, MET183B, MET238B, MET240A, MET240B, PHE184A, PHE184B, PHE200A, PHE200B, PHE242A, PHE242B, PHE98A, PHE98B, PRO100A, PRO100B, PRO140A, PRO201A, PRO201B, PRO241A, PRO241B, PRO246A, PRO246B, SER181A, SER181B, TRP103A, TRP103B, TRP94A, TRP94B, TYR148A, TYR197A, TYR197B, TYR336A, TYR336B, VAL178A, VAL178B, VAL182A, VAL182B, VAL300B