2ZDX

inhibitor-bound structures of human pyruvate dehydrogenase kinase 4

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 150
  • Norm. En. per Res.: -3.8025
• 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	-87.7881	-123.3594	-359.233	-570.3805	150	15	12	14967	7	27	37

Interface residues

• A-B: ALA360A, ALA360B, ALA366A, ALA366B, ALA382A, ARG161A, ARG294A, ARG294B, ARG301A, ARG301B, ASN165A, ASN231A, ASN231B, ASN269B, ASN349A, ASN349B, ASN379A, ASP160A, ASP286A, ASP286B, ASP293B, ASP347A, ASP347B, ASP359A, ASP359B, ASP394B, CYS396B, GLN156A, GLN229A, GLN229B, GLN345A, GLN345B, GLU277B, GLU285A, GLU285B, GLU370A, GLU370B, GLU373A, GLU71A, GLY232A, GLY232B, GLY283A, GLY283B, GLY296A, GLY296B, GLY297A, GLY297B, GLY346A, GLY346B, GLY355A, GLY355B, GLY357A, GLY357B, HIS266A, HIS266B, HIS385A, ILE279A, ILE279B, ILE289A, ILE289B, ILE291A, ILE291B, ILE302A, ILE302B, ILE303A, ILE303B, ILE361A, ILE361B, ILE362A, ILE362B, ILE372A, LEU159A, LEU282A, LEU282B, LEU287A, LEU287B, LEU300A, LEU300B, LEU339A, LEU348A, LEU348B, LEU350A, LEU350B, LEU353A, LEU353B, LEU364A, LEU364B, LEU367B, LEU375A, LYS233A, LYS233B, LYS284A, LYS284B, LYS290A, LYS290B, LYS342A, LYS342B, LYS365A, LYS365B, LYS374A, LYS380A, LYS384A, LYS384B, MET164A, PHE158A, PHE162A, PHE307B, PHE378A, PHE383A, PRO235A, PRO299A, PRO299B, PRO32A, PRO34A, PRO376A, SER292A, SER292B, SER31A, SER33A, SER352A, SER352B, SER354A, SER354B, SER381A, THR228A, THR228B, THR288A, THR288B, THR358A, THR358B, TRP395B, TYR157A, TYR163A, TYR343A, TYR351A, TYR351B, TYR356A, TYR356B, TYR363A, TYR363B, VAL230A, VAL230B, VAL278B, VAL280A, VAL280B, VAL281A, VAL281B, VAL298A, VAL298B, VAL377A