3IR3

crystal structure of human 3-hydroxyacyl-thioester dehydratase 2 (htd2)

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 117
  • Norm. En. per Res.: -2.5373
• 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	-56.6281	8.357	-248.589	-296.86	117	7	6	11582	1	11	9

Interface residues

• A-B: ALA116A, ALA116B, ALA54A, ALA54B, ALA94A, ALA94B, ARG45B, ARG46A, ARG46B, ASN64A, ASN69A, ASN89A, ASN89B, ASP52A, ASP52B, ASP62A, ASP62B, CYS105A, CYS105B, GLN110A, GLN110B, GLU111A, GLU111B, GLU155A, GLU155B, GLU43B, GLU58A, GLU58B, GLY102A, GLY104A, GLY61A, GLY61B, GLY85A, GLY85B, GLY90A, GLY90B, GLY97A, GLY97B, HIS67A, HIS84A, HIS84B, ILE112A, ILE112B, ILE82A, ILE82B, ILE88A, ILE88B, ILE92A, ILE92B, LEU108A, LEU108B, LEU44A, LEU44B, LEU59A, LEU59B, LEU66A, LEU87A, LEU87B, LEU91A, LEU91B, LEU95A, LEU95B, LEU96A, LEU96B, LYS159A, LYS159B, LYS99A, LYS99B, MET154A, MET154B, PHE107A, PHE107B, PHE114A, PHE114B, PHE48A, PHE48B, PHE56A, PHE56B, PRO103A, PRO103B, PRO115A, PRO115B, PRO117A, PRO117B, PRO65A, SER109A, SER109B, SER113A, SER113B, SER57A, SER57B, SER93A, SER93B, THR49A, THR49B, THR51A, THR51B, THR55A, THR55B, THR60A, THR60B, THR98A, THR98B, TRP157A, TRP157B, VAL106A, VAL106B, VAL158A, VAL158B, VAL160A, VAL160B, VAL53A, VAL53B, VAL63A, VAL63B, VAL86A, VAL86B