2PIY

crystal structure of activated porcine pancreatic carboxypeptidase b (s)-2-(3-aminomethyl-phenyl)-3-{hydroxy- [(r)-2-methyl-1-(3-phenyl-propane-1-sulfonylamino)-propyl]- phosphinoyl}-propionic acid {zk 528} complex

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 54
  • Norm. En. per Res.: -2.6634
• 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	-22.2202	-25.033	-96.5695	-143.8227	54	4	0	4019	4	16	10
B-C	0.0	0.0	-35.8058	-35.8058	35	2	0	1937	0	3	4

Interface residues

• A-B: ALA178B, ALA20B, ALA37B, ARG124A, ARG130A, ARG130B, ARG35B, ARG71A, ASN123A, ASN45B, ASN46B, ASP114B, ASP159A, ASP162A, CYS138A, CYS161A, GLU163A, GLU16B, GLU19B, GLY135A, GLY39B, GLY44B, ILE113B, ILE117B, ILE139A, ILE38B, ILE47B, LEU43B, LYS122A, LYS128A, LYS174B, LYS23B, MET125A, PHE279A, PHE42B, PRO160A, SER131B, SER157A, SER27B, THR121A, THR121B, THR132B, THR136A, THR137A, THR158A, THR22B, THR26B, THR36B, THR40B, THR41B, TRP126A, TRP15B, TYR118A, TYR48B
• B-C: ALA156B, ALA244B, ASN101C, ASN58C, ASP209B, GLU98C, GLY155B, GLY306C, GLY56C, ILE247B, LEU100C, LEU103C, LEU212B, LEU305C, LEU308C, LYS102C, LYS211B, LYS54C, LYS59C, PHE99C, PRO242B, PRO249B, PRO55C, PRO57C, PRO60C, SER94C, THR153B, THR154B, THR245B, THR246B, THR97C, TYR208B, TYR210B, TYR248B, TYR90C