1NRX

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

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 97
  • Norm. En. per Res.: -4.4497
• 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	-62.8869	-97.9771	-270.758	-431.622	97	23	7	11440	9	19	24

Interface residues

• A-B: ALA125A, ALA125B, ALA154A, ALA154B, ALA166A, ALA166B, ALA90A, ALA90B, ARG105A, ARG105B, ARG130A, ARG130B, ARG264A, ARG264B, ARG86A, ARG86B, ASN162A, ASN162B, ASP119A, ASP119B, ASP156A, ASP91A, ASP91B, ASP94A, ASP94B, CYS103A, CYS103B, GLN87A, GLN87B, GLN99A, GLN99B, GLU93A, GLU93B, GLY104B, GLY131A, GLY131B, GLY151A, GLY151B, GLY160A, GLY160B, GLY165A, GLY165B, ILE155A, ILE155B, ILE164A, ILE164B, ILE167A, ILE167B, ILE92A, ILE92B, LEU159A, LEU159B, LEU163A, LEU163B, LEU354A, LEU354B, LEU97A, LEU97B, LYS152A, LYS152B, LYS161A, LYS161B, LYS84A, LYS84B, LYS89A, LYS89B, MET129A, MET129B, MET96A, MET96B, PHE123A, PHE123B, PRO102A, PRO102B, PRO158A, PRO158B, SER126A, SER126B, SER147A, SER98A, SER98B, THR127A, THR127B, THR153A, THR153B, THR157A, THR157B, THR88A, TRP168A, TRP168B, TRP95A, TRP95B, TYR128A, TYR128B, VAL124A, VAL124B, VAL132B