2YSW

crystal structure of the 3-dehydroquinate dehydratase from aquifex aeolicus vf5

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 33
  • Norm. En. per Res.: -1.1904
• 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	-41.3277	-81.7554	415.918	292.8348	103	17	16	13560	7	31	31
A-C	0.0	-4.9358	-34.3468	-39.2826	33	0	0	1618	1	16	13

Interface residues

• A-B: ALA147A, ALA147B, ALA154A, ALA154B, ALA182A, ALA182B, ARG155A, ARG155B, ARG161A, ARG161B, ARG180A, ARG180B, ARG213A, ARG213B, ARG218A, ARG218B, ASN124A, ASN124B, ASN148A, ASN148B, ASP152A, ASP152B, ASP174A, ASP174B, CYS158A, CYS158B, GLN162A, GLN162B, GLN203A, GLN203B, GLU151A, GLU151B, GLU164A, GLU164B, GLU208A, GLU208B, GLU211A, GLU211B, GLY173A, GLY173B, GLY176A, GLY176B, GLY183A, GLY183B, GLY187A, GLY187B, GLY202A, GLY202B, ILE159A, ILE159B, ILE178A, ILE178B, ILE204A, ILE204B, LEU156A, LEU156B, LEU157A, LEU157B, LEU181A, LEU181B, LEU212A, LEU212B, LEU219A, LEU219B, LYS146A, LYS146B, LYS177A, LYS177B, LYS197A, LYS214A, LYS214B, LYS215A, LYS215B, MET1A, MET1B, MET209A, MET209B, PHE186A, PHE186B, PHE216A, PHE216B, PRO201A, PRO201B, PRO205A, PRO205B, SER149A, SER149B, SER160A, SER160B, SER179A, SER179B, TYR150A, TYR150B, TYR175A, TYR175B, TYR184A, TYR184B, TYR217A, TYR217B, VAL153A, VAL153B, VAL185A, VAL185B
• A-C: ALA107A, ALA147C, ARG155C, ASN117C, ASN148C, ASP152C, ASP85A, GLN52A, GLU119C, GLU151C, GLU21A, GLU47A, GLY108A, GLY23A, GLY53A, HIS50A, LEU120C, LEU54A, LEU83A, LYS109A, LYS146C, LYS20A, LYS55A, PHE118C, PRO122C, PRO123C, PRO82A, SER149C, SER51A, THR121C, TYR150C, TYR175C, VAL49A