Arsenic in PDB 3bft: Structure of the Ligand-Binding Core of GLUR2 in Complex with the Agonist (S)-Tdpa at 2.25 A Resolution

The structure of Structure of the Ligand-Binding Core of GLUR2 in Complex with the Agonist (S)-Tdpa at 2.25 A Resolution, PDB code: 3bft was solved by M.Beich-Frandsen, O.Mirza, B.Vestergaard, M.Gajhede, J.S.Kastrup, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.27
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	113.820, 163.333, 47.270, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 25

The structure of Structure of the Ligand-Binding Core of GLUR2 in Complex with the Agonist (S)-Tdpa at 2.25 A Resolution also contains other interesting chemical elements:

Zinc	(Zn)	5 atoms
Chlorine	(Cl)	1 atom
Sodium	(Na)	2 atoms

The binding sites of Arsenic atom in the Structure of the Ligand-Binding Core of GLUR2 in Complex with the Agonist (S)-Tdpa at 2.25 A Resolution (pdb code 3bft). 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 Structure of the Ligand-Binding Core of GLUR2 in Complex with the Agonist (S)-Tdpa at 2.25 A Resolution, PDB code: 3bft:

Arsenic binding site 1 out of 1 in the Structure of the Ligand-Binding Core of GLUR2 in Complex with the Agonist (S)-Tdpa at 2.25 A Resolution


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Structure of the Ligand-Binding Core of GLUR2 in Complex with the Agonist (S)-Tdpa at 2.25 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:As1439 b:50.2 occ:1.00 AS B:CAC1439 0.0 50.2 1.0 O2 B:CAC1439 1.6 46.9 1.0 O1 B:CAC1439 1.8 47.2 1.0 C2 B:CAC1439 1.9 49.3 1.0 C1 B:CAC1439 2.0 48.6 1.0 ZN B:ZN1005 3.2 25.6 1.0 OE2 B:GLU166 3.8 26.4 1.0 OG B:SER168 3.9 23.9 1.0 CB B:SER168 3.9 22.5 1.0 O B:HOH1553 4.1 45.1 1.0 O B:HOH1476 4.2 29.3 1.0 CA B:SER168 4.4 23.4 1.0 CD B:GLU166 4.5 27.5 1.0 O B:ALA165 4.5 24.4 1.0 OE1 B:GLU166 4.5 27.2 1.0 O B:ARG163 4.8 32.7 1.0 N B:SER168 4.8 24.6 1.0 O B:HOH1596 5.0 67.2 1.0

M.Beich-Frandsen, D.S.Pickering, O.Mirza, T.N.Johansen, J.Greenwood, B.Vestergaard, A.Schousboe, M.Gajhede, T.Liljefors, J.S.Kastrup. Structures of the Ligand-Binding Core of IGLUR2 in Complex with the Agonists (R)- and (S)-2-Amino-3-(4-Hydroxy-1,2,5-Thiadiazol-3-Yl)Propionic Acid Explain Their Unusual Equipotency. J.Med.Chem. V. 51 1459 2008.
ISSN: ISSN 0022-2623
PubMed: 18269227
DOI: 10.1021/JM701126W