3QJM

structural flexibility of shank pdz domain is important for its binding to different ligands

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 37
  • Norm. En. per Res.: -6.7748
• 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	-67.1754	-14.221	-152.743	-234.1394	63	10	5	6892	1	12	10
A-C	-81.1267	-6.3185	-120.063	-207.5082	37	11	4	4439	1	8	4
B-D	-101.9282	-19.3678	-129.37	-250.666	37	9	4	4448	1	8	3

Interface residues

• A-B: ALA695A, ALA695B, ALA698A, ARG758A, ARG758B, ASN729A, ASN729B, ASP656A, ASP656A5, ASP656B, CB5.51203-15.72557, GLN728A, GLU661A, GLU661B, GLU689B, GLU724A, GLY654B, ILE658A, ILE658B, ILE659A, ILE659B, ILE723A, ILE723B, LEU699A, LYS660A, LYS660B, LYS662A, LYS732A, LYS732B, LYS752A, MET755A, MET755B, PHE690A, PHE690B, PHE696A, PHE696B, PHE721A, PRO692A, PRO692B, PRO694A, PRO694B, PRO697A, PRO697B, SER655B, THR663A, THR691A, THR691B, THR693A, THR693B, THR757A, THR757B, TYR657A, TYR657B, VAL664A, VAL730A, VAL731A, VAL731B, VAL733A, VAL753A, VAL754A, VAL754B, VAL756A, VAL756B
• A-C: ALA681A, ALA711A, ARG679A, ARG736A, ARG743A, ASN645C, ASN740A, ASP642C, ASP706A, GLN700A, GLU643C, GLU672A, GLU703A, GLY673A, GLY675A, GLY680A, GLY734A, HIS735A, ILE742A, LEU646C, LEU666A, LEU678A, LEU702A, LEU722A, LEU749A, LYS668A, PHE674A, PHE676A, SER704A, THR644C, TYR701A, VAL677A, VAL705A, VAL710A, VAL725A, VAL738A, VAL739A
• B-D: ALA681B, ALA711B, ARG679B, ARG736B, ARG743B, ASN645D, ASN740B, ASP642D, ASP706B, GLN700B, GLN744B, GLU643D, GLU672B, GLU703B, GLY673B, GLY675B, GLY680B, HIS735B, ILE742B, LEU646D, LEU666B, LEU678B, LEU702B, LEU722B, LEU749B, LYS668B, MET741B, PHE674B, PHE676B, SER704B, THR644D, TYR701B, VAL677B, VAL710B, VAL725B, VAL738B, VAL739B