Chlorine in PDB 6yk4: Structure of the Ampa Receptor GLUA2O Ligand-Binding Domain (S1S2J) in Complex with the Compound ( S) - 1- [2'-Amino-2'-Carboxyethyl]-6- Methyl-5 ,7- Dihydropyrrolo[3,4-D]Pyrimidin-2,4(1H,3H)-Dione at Resolution 1.00A

The structure of Structure of the Ampa Receptor GLUA2O Ligand-Binding Domain (S1S2J) in Complex with the Compound ( S) - 1- [2'-Amino-2'-Carboxyethyl]-6- Methyl-5 ,7- Dihydropyrrolo[3,4-D]Pyrimidin-2,4(1H,3H)-Dione at Resolution 1.00A, PDB code: 6yk4 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)	48.54 / 1.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	59.213, 96.542, 48.543, 90.00, 90.00, 90.00
R / Rfree (%)	10.7 / 12

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]-6- Methyl-5 ,7- Dihydropyrrolo[3,4-D]Pyrimidin-2,4(1H,3H)-Dione at Resolution 1.00A (pdb code 6yk4). 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]-6- Methyl-5 ,7- Dihydropyrrolo[3,4-D]Pyrimidin-2,4(1H,3H)-Dione at Resolution 1.00A, PDB code: 6yk4:
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]-6- Methyl-5 ,7- Dihydropyrrolo[3,4-D]Pyrimidin-2,4(1H,3H)-Dione at Resolution 1.00A


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]-6- Methyl-5 ,7- Dihydropyrrolo[3,4-D]Pyrimidin-2,4(1H,3H)-Dione at Resolution 1.00A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl311 b:48.2 occ:1.00 N A:THR5 3.3 11.7 1.0 OG1 A:THR5 3.7 15.4 1.0 CA A:LYS4 3.9 14.6 1.0 CB A:THR5 3.9 12.3 1.0 CB A:LYS4 4.0 17.0 1.0 O A:HOH558 4.1 21.0 1.0 C A:LYS4 4.1 13.7 1.0 O A:HOH412 4.1 33.0 1.0 CA A:THR5 4.2 10.6 1.0 CG A:LYS4 4.2 19.0 1.0 CE A:LYS4 4.8 22.9 1.0 O A:THR5 5.0 10.7 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]-6- Methyl-5 ,7- Dihydropyrrolo[3,4-D]Pyrimidin-2,4(1H,3H)-Dione at Resolution 1.00A


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]-6- Methyl-5 ,7- Dihydropyrrolo[3,4-D]Pyrimidin-2,4(1H,3H)-Dione at Resolution 1.00A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl312 b:30.2 occ:0.86 O A:HOH636 3.2 14.4 1.0 N A:MET19 3.3 8.0 1.0 CB A:MET19 3.8 11.6 0.2 O A:HOH652 3.8 36.5 1.0 CA A:MET18 4.0 7.6 0.6 CA A:MET18 4.0 7.3 0.4 CB A:MET19 4.1 9.9 0.8 CA A:MET19 4.2 9.6 0.2 C A:MET18 4.2 7.3 1.0 CA A:MET19 4.2 8.6 0.8 CG A:MET19 4.2 8.8 0.8 CG A:MET19 4.3 12.8 0.2 CB A:MET18 4.3 10.3 0.6 O A:MET19 4.4 10.7 1.0 CB A:MET18 4.4 8.9 0.4 CD2 A:LEU12 4.7 15.0 1.0 CD1 A:LEU12 4.8 14.2 1.0 C A:MET19 4.8 9.4 1.0 CG A:MET18 4.9 11.7 0.6

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