1NVE

crystal structure of 3-dehydroquinate synthase (dhqs) in complex with zn2+ and nad

• Total interactions analyzed: 6
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 92
  • Norm. En. per Res.: -5.1484
• 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	-71.2845	-109.0582	-293.311	-473.6537	92	15	5	11585	8	18	26
C-D	-79.9561	-121.0607	-279.491	-480.5077	98	17	7	11396	11	19	28

Interface residues

• A-B: ALA125A, ALA125B, ALA154A, ALA154B, ALA166A, ALA166B, ALA90A, ALA90B, ARG105A, ARG105B, ARG130A, ARG130B, ARG264A, ARG86A, ARG86B, ASN162A, ASN162B, ASP119A, ASP119B, ASP156A, ASP91A, ASP91B, ASP94A, ASP94B, CYS103A, CYS103B, GLN87A, GLN87B, GLN99A, GLN99B, GLU93A, GLU93B, GLY104A, GLY104B, GLY131A, GLY131B, GLY151A, GLY151B, GLY160A, GLY160B, GLY165A, GLY165B, ILE155A, ILE155B, ILE164A, ILE164B, ILE167A, ILE167B, ILE92A, ILE92B, LEU159A, LEU159B, LEU163A, LEU163B, LEU97A, LEU97B, LYS152A, LYS152B, LYS161A, LYS161B, LYS84A, LYS84B, LYS89A, LYS89B, MET129A, MET129B, MET96A, MET96B, PHE123A, PHE123B, PRO102A, PRO102B, PRO158A, PRO158B, SER126A, SER126B, SER98A, SER98B, THR127A, THR127B, THR153A, THR153B, THR157A, THR157B, TRP168A, TRP168B, TRP95A, TRP95B, TYR128A, TYR128B, VAL124A, VAL124B
• C-D: ALA125C, ALA125D, ALA154C, ALA154D, ALA166C, ALA166D, ALA90C, ALA90D, ARG105C, ARG105D, ARG130C, ARG130D, ARG259D, ARG264C, ARG86C, ARG86D, ASN162C, ASN162D, ASP119C, ASP119D, ASP156C, ASP156D, ASP91C, ASP91D, ASP94C, ASP94D, CYS103C, CYS103D, GLN87C, GLN87D, GLN99C, GLN99D, GLU260D, GLU93C, GLU93D, GLY104C, GLY104D, GLY131C, GLY131D, GLY151C, GLY151D, GLY160C, GLY160D, GLY165C, GLY165D, ILE155C, ILE155D, ILE164C, ILE164D, ILE167C, ILE167D, ILE92C, ILE92D, LEU159C, LEU159D, LEU163C, LEU163D, LEU354D, LEU97C, LEU97D, LYS152C, LYS152D, LYS161C, LYS161D, LYS84C, LYS84D, LYS89C, LYS89D, MET129C, MET129D, MET96C, MET96D, PHE123C, PHE123D, PRO102C, PRO102D, PRO158C, PRO158D, SER126C, SER126D, SER98C, SER98D, THR127C, THR127D, THR153C, THR153D, THR157C, THR157D, THR88C, THR88D, TRP168C, TRP168D, TRP95C, TRP95D, TYR128C, TYR128D, VAL124C, VAL124D