1Q4J

crystal structure of pf-gst1 with its inhibitor s-hexyl-gsh

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 83
  • Norm. En. per Res.: -1.7996
• 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	0.0	-0.9328	-148.431	-149.3638	83	3	9	6616	0	21	23

Interface residues

• A-B: ALA12A, ALA12B, ALA41A, ALA41B, ASN111A, ASN111B, ASN112A, ASN112B, ASN114A, ASN114B, ASN119A, ASN119B, ASN125A, ASN125B, ASP11A, ASP11B, ASP40A, ASP40B, GLN118A, GLN118B, GLN58A, GLN58B, GLU120A, GLU120B, GLU173B, GLU57A, GLU57B, GLY14A, GLY14B, GLY36A, GLY36B, ILE172B, LEU115A, LEU115B, LEU124A, LEU124B, LYS117A, LYS117B, LYS15A, LYS15B, LYS175A, LYS175B, LYS46A, LYS46B, LYS49A, LYS49B, PHE10A, PHE10B, PHE110A, PHE110B, PHE116A, PHE116B, PHE35A, PHE35B, PHE42A, PHE42B, PHE45A, PHE45B, PRO177A, PRO177B, SER178A, SER178B, SER179B, SER209A, THR113A, THR113B, THR121A, THR121B, THR122B, THR174B, TYR108A, TYR108B, TYR176A, TYR176B, TYR211A, TYR211B, TYR9A, TYR9B, VAL210A, VAL210B, VAL43A, VAL59A, VAL59B