3S2V

crystal structure of the ligand binding domain of gluk1 in complex with an antagonist (s)-1-(2'-amino-2'-carboxyethyl)-3-[(2- carboxythien-3-yl)methyl]thieno[3,4-d]pyrimidin-2,4-dione at 2.5 a resolution

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 131
  • Norm. En. per Res.: -2.2299
• 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	-39.4702	-14.9335	-237.711	-292.1147	131	17	4	11721	9	60	56

Interface residues

• A-B: ALA233A, ALA233B, ARG227A, ARG227B, ARG252A, ARG95A, ARG95B, ASP100A, ASP100B, ASP124B, ASP212A, ASP212B, ASP228A, ASP228B, GLN206A, GLN236A, GLN236B, GLN238A, GLN238B, GLU155B, GLU239A, GLU239B, GLU240A, GLU240B, GLU248A, GLU248B, GLU96A, GLU96B, GLY109A, GLY109B, GLY208B, GLY209A, GLY209B, GLY215A, GLY215B, GLY217A, GLY217B, GLY219A, GLY219B, GLY223A, GLY223B, GLY241A, GLY241B, HIS244A, HIS244B, ILE110B, ILE151A, ILE151B, ILE211A, ILE211B, ILE222A, ILE222B, ILE232A, ILE232B, ILE234A, ILE234B, ILE46A, ILE46B, ILE91A, ILE91B, ILE99A, ILE99B, LEU108A, LEU108B, LEU210A, LEU210B, LEU235A, LEU235B, LEU237A, LEU237B, LEU243A, LEU243B, LEU47B, LYS103A, LYS103B, LYS148A, LYS148B, LYS150A, LYS150B, LYS214A, LYS214B, LYS229A, LYS229B, LYS242A, LYS242B, LYS97A, LYS97B, MET106A, MET106B, MET245A, MET245B, PHE101A, PHE101B, PHE105A, PHE105B, PHE145A, PHE145B, PRO104A, PRO104B, SER102A, SER102B, SER149A, SER149B, SER152A, SER152B, SER213A, SER213B, SER224A, THR107A, THR107B, THR144A, THR153B, THR220A, THR231A, THR231B, THR90A, THR90B, THR92A, THR92B, TYR154A, TYR154B, TYR216A, TYR216B, TYR93A, TYR93B, VAL218A, VAL218B, VAL94A, VAL94B, VAL98A, VAL98B