1TGS

three-dimensional structure of the complex between pancreatic secretory inhibitor (kazal type) and trypsinogen at 1.8 angstroms resolution. structure solution, crystallographic refinement and preliminary structural interpretation

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: Z-I
  • Int. Res.: 98
  • Norm. En. per Res.: -3.9157
• Hub Node: Z(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
Z-I	-84.2181	-14.4394	-285.078	-383.7355	98	22	4	10716	2	7	7

Interface residues

• Z-I: ALA171Z, ALA183Z, ALA221Z, ALA55Z, ALA56Z, ASN100Z, ASN143Z, ASN21I, ASN33I, ASN95Z, ASN97Z, ASP102Z, ASP189Z, ASP194Z, CYS16I, CYS191Z, CYS220Z, CYS35I, CYS42Z, CYS56I, CYS58Z, CYS8I, GLN175Z, GLN192Z, GLN221Z, GLU12I, GLU34I, GLU40I, GLY142Z, GLY148Z, GLY15I, GLY174Z, GLY193Z, GLY196Z, GLY197Z, GLY216Z, GLY219Z, GLY226Z, GLY43Z, GLY54I, HIS40Z, HIS57Z, ILE138Z, ILE176Z, ILE19I, ILE29I, ILE73Z, LEU158Z, LEU33Z, LEU99Z, LYS156Z, LYS18I, LYS224Z, LYS42I, LYS43I, LYS60Z, MET180Z, PHE41Z, PRO152Z, PRO173Z, PRO17I, PRO225Z, PRO22I, PRO55I, SER11I, SER147Z, SER14I, SER150Z, SER190Z, SER195Z, SER214Z, SER217Z, SER32I, SER37Z, SER39I, SER53I, SER96Z, THR10I, THR144Z, THR149Z, THR177Z, THR30I, THR98Z, TRP215Z, TYR151Z, TYR172Z, TYR20I, TYR228Z, TYR31I, TYR39Z, TYR59Z, TYR94Z, VAL13I, VAL17Z, VAL213Z, VAL227Z, VAL23I, VAL36I