1Q3O

crystal structure of the shank pdz-ligand complex reveals a class i pdz interaction and a novel pdz-pdz dimerization

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 69
  • Norm. En. per Res.: -3.7045
• 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	-73.0411	-23.7079	-158.863	-255.6121	69	13	4	7201	1	19	16

Interface residues

• A-B: ALA623A, ALA623B, ALA626A, ARG686A, ARG686B, ASN657A, ASN657B, ASP584A, ASP584A5, ASP584B, ASP689B, CB5.28484-7.32369, GLU589A, GLU589B, GLU617A, GLU617B, GLU652A, GLU652B, GLY582B, HIS687A, HIS687B, ILE586A, ILE586B, ILE587A, ILE587B, ILE651A, ILE651B, LYS588A, LYS588B, LYS590A, LYS590B, LYS660A, LYS660B, LYS680A, LYS680B, MET683A, MET683B, PHE618A, PHE618B, PHE624A, PHE624B, PHE649A, PRO620A, PRO620B, PRO622A, PRO622B, PRO625A, PRO625B, PRO688B, SER583B, THR591A, THR619A, THR619B, THR621A, THR621B, THR685A, THR685B, TYR585A, TYR585B, VAL658A, VAL659A, VAL659B, VAL661A, VAL681A, VAL681B, VAL682A, VAL682B, VAL684A, VAL684B