Arsenic in PDB 5h8s: Structure of the Human GLUA2 Lbd in Complex with GNE3419

The structure of Structure of the Human GLUA2 Lbd in Complex with GNE3419, PDB code: 5h8s was solved by H.J.A.Wallweber, P.J.Lupardus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.81 / 1.70
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.232, 114.461, 162.744, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 20.6

The structure of Structure of the Human GLUA2 Lbd in Complex with GNE3419 also contains other interesting chemical elements:

Zinc

(Zn)

6 atoms

The binding sites of Arsenic atom in the Structure of the Human GLUA2 Lbd in Complex with GNE3419 (pdb code 5h8s). 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 Human GLUA2 Lbd in Complex with GNE3419, PDB code: 5h8s:

Arsenic binding site 1 out of 1 in the Structure of the Human GLUA2 Lbd in Complex with GNE3419


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 Human GLUA2 Lbd in Complex with GNE3419 within 5.0Å range: probe atom residue distance (Å) B Occ A:As305 b:33.8 occ:1.00 AS A:CAC305 0.0 33.8 1.0 O2 A:CAC305 1.7 23.2 1.0 O1 A:CAC305 1.8 33.8 1.0 C2 A:CAC305 2.0 28.6 1.0 C1 A:CAC305 2.0 27.7 1.0 ZN A:ZN303 3.3 24.3 1.0 O A:HOH401 3.4 22.4 1.0 OG C:SER168 4.0 21.8 1.0 OE1 C:GLU166 4.0 26.9 1.0 CB C:SER168 4.0 22.1 1.0 NE2 A:HIS46 4.0 23.7 1.0 O A:HOH581 4.2 41.9 1.0 O C:HOH447 4.2 19.3 1.0 CE1 A:HIS46 4.3 29.8 1.0 CA C:SER168 4.4 22.6 1.0 OE2 C:GLU166 4.4 22.7 1.0 O C:ALA165 4.5 23.0 1.0 CD C:GLU166 4.6 23.0 1.0 CD2 A:HIS46 4.8 23.9 1.0 OE1 A:GLU42 4.9 23.5 1.0 O C:ARG163 4.9 28.6 1.0 N C:SER168 4.9 21.4 1.0

D.H.Hackos, P.J.Lupardus, T.Grand, Y.Chen, T.M.Wang, P.Reynen, A.Gustafson, H.J.Wallweber, M.Volgraf, B.D.Sellers, J.B.Schwarz, P.Paoletti, M.Sheng, Q.Zhou, J.E.Hanson. Positive Allosteric Modulators of GLUN2A-Containing Nmdars with Distinct Modes of Action and Impacts on Circuit Function. Neuron V. 89 983 2016.
ISSN: ISSN 1097-4199
PubMed: 26875626
DOI: 10.1016/J.NEURON.2016.01.016