Arsenic in PDB 8qez: Crystal Structure of the Ampa Receptor GLUA2-L504Y-N775S Ligand Binding Domain in Complex with L-Glutamate and Positive Allosteric Modulator BPAM395 at 1.55A Resolution

The structure of Crystal Structure of the Ampa Receptor GLUA2-L504Y-N775S Ligand Binding Domain in Complex with L-Glutamate and Positive Allosteric Modulator BPAM395 at 1.55A Resolution, PDB code: 8qez was solved by J.Dorosz, S.Laulumaa, K.Frydenvang, J.S.Kastrup, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.17 / 1.55
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	114.316, 163.416, 47.466, 90, 90, 90
R / Rfree (%)	16.8 / 19.5

The structure of Crystal Structure of the Ampa Receptor GLUA2-L504Y-N775S Ligand Binding Domain in Complex with L-Glutamate and Positive Allosteric Modulator BPAM395 at 1.55A Resolution also contains other interesting chemical elements:

Zinc	(Zn)	7 atoms
Chlorine	(Cl)	6 atoms

The binding sites of Arsenic atom in the Crystal Structure of the Ampa Receptor GLUA2-L504Y-N775S Ligand Binding Domain in Complex with L-Glutamate and Positive Allosteric Modulator BPAM395 at 1.55A Resolution (pdb code 8qez). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total only one binding site of Arsenic was determined in the Crystal Structure of the Ampa Receptor GLUA2-L504Y-N775S Ligand Binding Domain in Complex with L-Glutamate and Positive Allosteric Modulator BPAM395 at 1.55A Resolution, PDB code: 8qez:

Arsenic binding site 1 out of 1 in the Crystal Structure of the Ampa Receptor GLUA2-L504Y-N775S Ligand Binding Domain in Complex with L-Glutamate and Positive Allosteric Modulator BPAM395 at 1.55A Resolution


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of the Ampa Receptor GLUA2-L504Y-N775S Ligand Binding Domain in Complex with L-Glutamate and Positive Allosteric Modulator BPAM395 at 1.55A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:As304 b:26.0 occ:0.88 AS C:CAC304 0.0 26.0 0.9 O2 C:CAC304 1.7 18.9 0.9 O1 C:CAC304 1.8 24.8 0.9 C1 C:CAC304 1.9 22.4 0.9 C2 C:CAC304 2.0 22.6 0.9 H13 C:CAC304 2.5 26.9 0.9 H11 C:CAC304 2.5 26.9 0.9 H12 C:CAC304 2.5 26.9 0.9 H22 C:CAC304 2.5 27.2 0.9 H21 C:CAC304 2.5 27.2 0.9 H23 C:CAC304 2.5 27.2 0.9 ZN B:ZN302 3.3 18.6 1.0 HB2 C:SER168 3.4 21.9 1.0 HE2 B:LYS45 3.4 64.2 1.0 HD3 B:LYS45 3.7 56.0 1.0 HA C:SER168 3.8 19.0 1.0 OE2 C:GLU166 4.0 26.4 1.0 OG C:SER168 4.0 19.9 1.0 CB C:SER168 4.0 18.3 1.0 NE2 B:HIS46 4.0 19.0 1.0 HG C:SER168 4.0 23.8 1.0 HZ3 B:LYS45 4.1 47.4 1.0 CE B:LYS45 4.1 53.5 1.0 O C:HOH516 4.1 19.0 1.0 O C:HOH604 4.1 36.6 1.0 HE1 B:HIS46 4.2 29.0 1.0 HD2 C:PHE170 4.3 26.4 1.0 CE1 B:HIS46 4.3 24.1 1.0 HZ1 B:LYS45 4.3 47.4 1.0 CD B:LYS45 4.3 46.6 1.0 HG2 B:LYS45 4.3 38.8 1.0 CA C:SER168 4.4 15.8 1.0 NZ B:LYS45 4.4 39.5 1.0 OE1 C:GLU166 4.4 20.0 1.0 O C:ALA165 4.5 19.7 1.0 CD C:GLU166 4.6 27.1 1.0 HE2 C:PHE170 4.7 25.1 1.0 H C:SER168 4.8 21.8 1.0 OE1 B:GLU42 4.8 17.2 1.0 O C:ARG163 4.8 24.2 1.0 HB3 C:SER168 4.9 21.9 1.0 CD2 B:HIS46 4.9 19.0 1.0 CG B:LYS45 4.9 32.3 1.0 N C:SER168 4.9 18.1 1.0 HE3 B:LYS45 4.9 64.2 1.0

P.Francotte, Y.Bay, E.Goffin, T.Colson, C.Lesenfants, J.Dorosz, S.Laulumaa, P.Fraikin, P.De Tullio, C.Beaufour, I.Botez, D.S.Pickering, K.Frydenvang, L.Danober, A.S.Kristensen, J.S.Kastrup, B.Pirotte. Exploring Thienothiadiazine Dioxides As Isosteric Analogues of Benzo- and Pyridothiadiazine Dioxides in the Search of New Ampa and Kainate Receptor Positive Allosteric Modulators. Eur.J.Med.Chem. V. 264 16036 2023.
ISSN: ISSN 0223-5234
PubMed: 38101041
DOI: 10.1016/J.EJMECH.2023.116036