2QT5

crystal structure of grip1 pdz12 in complex with the fras1 peptide

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-X
  • Int. Res.: 39
  • Norm. En. per Res.: -6.328
• Hub Node: A(2)

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	0.0	-7.4071	-7.4071	14	2	0	449	0	2	1
A-X	-91.1194	-33.5273	-122.145	-246.7917	39	10	5	3962	2	5	1
B-Y	-89.859	-30.7782	-121.679	-242.3162	39	10	5	3904	2	6	1

Interface residues

• A-B: ARG210A, ASP207A, ASP237B, GLU152A, GLY143B, GLY208A, ILE209A, LEU212A, LEU233A, SER144B, SER145B, SER205A, SER239B, VAL146B
• A-X: ALA89A, ARG79A, ARG84A, ASN123A, ASN82A, ASP115A, GLN85A, GLU1008X, GLY1006X, GLY65A, GLY70A, GLY87A, HIS114A, ILE101A, ILE117A, ILE118A, ILE88A, LEU120A, LEU121A, LEU130A, LEU56A, LEU64A, LEU66A, LEU83A, LYS122A, LYS58A, LYS74A, SER119A, SER69A, SER81A, THR1007X, THR62A, THR63A, THR67A, VAL1009X, VAL104A, VAL124A, VAL128A, VAL68A
• B-Y: ALA89B, ARG79B, ARG84B, ASN123B, ASN82B, ASP115B, GLN85B, GLU2008Y, GLY2006Y, GLY65B, GLY70B, GLY87B, HIS114B, ILE101B, ILE117B, ILE118B, ILE88B, LEU120B, LEU121B, LEU130B, LEU56B, LEU64B, LEU66B, LEU83B, LYS122B, LYS58B, LYS74B, SER119B, SER69B, SER81B, THR2007Y, THR62B, THR63B, THR67B, VAL104B, VAL124B, VAL128B, VAL2009Y, VAL68B