3S42

crystal structure of the 3-dehydroquinate dehydratase (arod) from salmonella enterica typhimurium lt2 with malonate and boric acid at the active site

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 100
  • Norm. En. per Res.: -2.6679
• 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	-38.7975	-10.2098	-217.78	-266.7873	100	7	19	11193	0	14	13

Interface residues

• A-B: ALA179A, ALA179B, ALA187A, ALA187B, ALA215A, ALA215B, ALA231B, ALA240A, ALA240B, ALA252A, ALA252B, ARG194A, ARG194B, ARG213A, ARG213B, ARG243A, ARG243B, ASP180A, ASP180B, ASP241A, ASP241B, GLN192A, GLN192B, GLN236B, GLN251A, GLN251B, GLU190A, GLU190B, GLU193A, GLU193B, GLU217A, GLU217B, GLY209A, GLY209B, GLY216A, GLY216B, GLY220A, GLY220B, GLY235B, HIS250A, HIS250B, ILE211A, ILE211B, ILE237A, ILE237B, ILE248A, ILE248B, LEU182A, LEU182B, LEU184A, LEU184B, LEU185A, LEU185B, LEU214A, LEU214B, LEU242A, LEU242B, LEU246A, LEU246B, LEU249A, LEU249B, LYS178A, LYS178B, LYS207A, LYS207B, PHE219A, PHE219B, PRO175A, PRO175B, SER204A, SER204B, SER206A, SER206B, SER212A, SER212B, SER238A, SER238B, THR177A, THR177B, THR183A, THR183B, THR186A, THR186B, THR188A, THR188B, THR208A, THR208B, THR244A, THR244B, THR247A, VAL181A, VAL181B, VAL189A, VAL189B, VAL210A, VAL210B, VAL218A, VAL218B, VAL245A, VAL245B