3DFH

crystal structure of putative mandelate racemase / muconate lactonizing enzyme from vibrionales bacterium swat-3

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 139
  • Norm. En. per Res.: -3.2525
• 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	-100.2237	-6.8167	-345.06	-452.1005	139	14	4	14231	1	32	36
A-C	0.0	-5.9299	-8.7655	-14.6954	12	0	0	356	1	4	6
B-C	-35.5529	13.7543	-81.3464	-103.145	62	10	0	3333	0	20	24

Interface residues

• A-B: ALA104A, ALA104B, ALA107A, ALA107B, ALA272A, ALA272B, ALA365A, ALA365B, ALA66A, ALA66B, ARG120A, ARG120B, ARG274A, ARG274B, ASN273A, ASN273B, ASN301A, ASN301B, ASN331A, ASN331B, ASN65A, ASN65B, ASN67A, ASN67B, ASN68A, ASN68B, ASP121A, ASP121B, ASP71A, ASP71B, CYS299A, CYS299B, GLN113A, GLN113B, GLN300A, GLN300B, GLN74A, GLN74B, GLU265A, GLU265B, GLU363A, GLU363B, GLU5A, GLU5B, GLU70A, GLU70B, GLY108A, GLY108B, GLY116A, GLY116B, GLY117A, GLY117B, GLY296A, GLY296B, GLY303A, GLY303B, GLY366A, GLY366B, HIS112A, HIS112B, HIS297A, HIS297B, HIS324B, HIS328A, HIS328B, HIS330A, HIS330B, ILE102A, ILE102B, ILE271A, ILE271B, ILE364A, ILE364B, ILE69A, ILE69B, LEU106A, LEU106B, LEU111A, LEU111B, LEU114A, LEU114B, LEU293A, LEU293B, LEU295A, LEU295B, LEU298A, LEU298B, LEU329A, LEU329B, LEU3A, LEU3B, LEU72A, LEU72B, LEU99A, LEU99B, LYS103A, LYS103B, LYS105A, LYS105B, LYS118A, LYS118B, LYS268A, LYS268B, LYS294A, LYS294B, LYS4A, LYS4B, MET109A, MET109B, PHE115A, PHE115B, PHE302A, PHE302B, PRO110A, PRO110B, PRO264A, PRO264B, PRO291B, SER119A, SER119B, SER269A, SER269B, SER2A, SER2B, SER362A, SER362B, THR290A, THR290B, THR6A, THR6B, TRP100A, TRP100B, TRP267A, TRP267B, TRP73A, TRP73B, VAL327A, VAL327B, VAL78B
• A-C: ASP139C, GLU135C, GLU142C, GLU146C, GLU5A, GLY136C, GLY143C, LEU3A, LYS147C, LYS4A, SER2A, TYR138C
• B-C: ALA351B, ALA352B, ALA365B, ALA375B, ARG20C, ASN22C, ASN341C, ASN343C, ASN350B, ASN356B, ASP132C, ASP139C, ASP179C, ASP19C, ASP372B, GLN182C, GLN201B, GLU135C, GLU146B, GLU353B, GLU363B, GLU370B, GLY136C, GLY148B, GLY157C, GLY357B, GLY366B, GLY368B, HIS21C, HIS345B, ILE137C, ILE355B, ILE364B, LEU140C, LEU145B, LEU156C, LEU47C, LYS105B, LYS147B, LYS150B, LYS17C, LYS346B, MET134C, PHE144B, PHE158C, PHE348B, PHE379C, PRO110B, PRO18C, PRO349B, PRO354B, PRO380C, PRO46C, SER131C, SER362B, THR130C, THR133C, TYR138C, TYR149B, TYR358B, TYR360B, VAL369B