Chlorine in PDB 6yk6: Structure of the Ampa Receptor GLUA2O Ligand-Binding Domain (S1S2J) in Complex with the Compound (S)-1-(2'-Amino-2'-Carboxyethyl)Furo[3,4- D]Pyrimidin-2,4-Dione at Resolution 1.47A

The structure of Structure of the Ampa Receptor GLUA2O Ligand-Binding Domain (S1S2J) in Complex with the Compound (S)-1-(2'-Amino-2'-Carboxyethyl)Furo[3,4- D]Pyrimidin-2,4-Dione at Resolution 1.47A, PDB code: 6yk6 was solved by K.Frydenvang, J.S.Kastrup, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.54 / 1.47
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	59.280, 95.071, 48.408, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 17.2

The binding sites of Chlorine atom in the Structure of the Ampa Receptor GLUA2O Ligand-Binding Domain (S1S2J) in Complex with the Compound (S)-1-(2'-Amino-2'-Carboxyethyl)Furo[3,4- D]Pyrimidin-2,4-Dione at Resolution 1.47A (pdb code 6yk6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of the Ampa Receptor GLUA2O Ligand-Binding Domain (S1S2J) in Complex with the Compound (S)-1-(2'-Amino-2'-Carboxyethyl)Furo[3,4- D]Pyrimidin-2,4-Dione at Resolution 1.47A, PDB code: 6yk6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of the Ampa Receptor GLUA2O Ligand-Binding Domain (S1S2J) in Complex with the Compound (S)-1-(2'-Amino-2'-Carboxyethyl)Furo[3,4- D]Pyrimidin-2,4-Dione at Resolution 1.47A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Ampa Receptor GLUA2O Ligand-Binding Domain (S1S2J) in Complex with the Compound (S)-1-(2'-Amino-2'-Carboxyethyl)Furo[3,4- D]Pyrimidin-2,4-Dione at Resolution 1.47A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl309 b:59.4 occ:1.00 N A:THR5 3.3 18.9 1.0 OG1 A:THR5 3.7 20.5 1.0 CB A:THR5 3.9 19.4 1.0 O A:HOH473 3.9 33.4 1.0 CA A:LYS4 4.0 26.2 1.0 CB A:LYS4 4.1 30.4 1.0 C A:LYS4 4.1 25.1 1.0 CA A:THR5 4.2 18.6 1.0 CG A:LYS4 4.4 40.5 1.0 CE A:LYS4 4.8 43.1 1.0 O A:THR5 4.9 18.4 1.0

Chlorine binding site 2 out of 2 in the Structure of the Ampa Receptor GLUA2O Ligand-Binding Domain (S1S2J) in Complex with the Compound (S)-1-(2'-Amino-2'-Carboxyethyl)Furo[3,4- D]Pyrimidin-2,4-Dione at Resolution 1.47A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Ampa Receptor GLUA2O Ligand-Binding Domain (S1S2J) in Complex with the Compound (S)-1-(2'-Amino-2'-Carboxyethyl)Furo[3,4- D]Pyrimidin-2,4-Dione at Resolution 1.47A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl310 b:48.6 occ:1.00 N A:ALA153 3.4 17.6 1.0 O A:HOH613 3.8 23.3 1.0 CB A:ALA153 3.9 16.6 1.0 CA A:ILE152 4.0 17.7 0.5 CA A:ILE152 4.0 17.6 0.5 CG2 A:ILE152 4.2 22.8 0.5 C A:ILE152 4.2 17.4 1.0 CG2 A:ILE152 4.2 22.6 0.5 CA A:ALA153 4.3 15.7 1.0 CD1 A:ILE152 4.4 21.7 0.5 CB A:ILE152 4.6 20.3 0.5 O A:LYS151 4.6 23.3 1.0 CB A:ILE152 4.6 20.3 0.5 CG1 A:ILE152 4.9 21.4 0.5

K.Frydenvang, D.S.Pickering, G.U.Kshirsagar, G.Chemi, S.Gemma, D.Sprogoe, A.M.KæRn, S.Brogi, G.Campiani, S.Butini, J.S.Kastrup. The Ionotropic Glutamate Receptor GLUA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions. Acs Chem Neurosci 2020.
ISSN: ESSN 1948-7193
PubMed: 32437601
DOI: 10.1021/ACSCHEMNEURO.0C00195