3GUZ

structural and substrate-binding studies of pantothenate synthenate (ps)provide insights into homotropic inhibition by pantoate in ps's

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 120
  • Norm. En. per Res.: -5.7583
• 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	-129.5654	-148.6363	-412.797	-690.9986	120	20	1	13603	9	39	32

Interface residues

• A-B: ALA164A, ALA164B, ARG11A, ARG11B, ARG128A, ARG128B, ARG15A, ARG15B, ARG160B, ARG16B, ARG18A, ARG18B, ARG23A, ARG23B, ASN101A, ASN101B, ASN139A, ASN139B, ASP110A, ASP110B, ASP144A, ASP144B, ASP165A, ASP165B, ASP169A, ASP169B, GLN12B, GLN142A, GLN142B, GLU104A, GLU104B, GLU171A, GLU171B, GLU20B, GLU97A, GLY102A, GLY102B, GLY113A, GLY113B, GLY129A, GLY167A, GLY167B, GLY21A, GLY21B, HIS106A, HIS106B, ILE133A, ILE133B, ILE145A, ILE145B, ILE14A, ILE14B, ILE159B, ILE170A, ILE170B, ILE98A, ILE98B, LEU10B, LEU137A, LEU137B, LEU140A, LEU140B, LEU158A, LEU158B, LEU17A, LEU17B, LEU7A, LEU7B, LYS136A, LYS136B, LYS161A, LYS161B, LYS22A, LYS22B, MET162A, MET162B, MET166A, MET166B, MET19A, MET19B, MET60A, MET60B, PHE138A, PHE138B, PHE168A, PHE168B, PRO100A, PRO100B, PRO112A, PRO112B, PRO143A, PRO143B, SER131A, SER131B, SER135A, SER135B, THR103A, THR103B, THR105A, THR105B, THR107A, THR107B, THR132A, THR132B, TYR108A, TYR108B, TYR99A, TYR99B, VAL109A, VAL109B, VAL111A, VAL111B, VAL134A, VAL134B, VAL141A, VAL141B, VAL163A, VAL163B, VAL24A, VAL24B