Arsenic in PDB 3pd8: X-Ray Structure of the Ligand-Binding Core of GLUA2 in Complex with (S)-7-Hpca at 2.5 A Resolution

The structure of X-Ray Structure of the Ligand-Binding Core of GLUA2 in Complex with (S)-7-Hpca at 2.5 A Resolution, PDB code: 3pd8 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)	29.32 / 2.48
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	114.618, 164.002, 47.620, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 26.1

The structure of X-Ray Structure of the Ligand-Binding Core of GLUA2 in Complex with (S)-7-Hpca at 2.5 A Resolution also contains other interesting chemical elements:

Zinc

(Zn)

5 atoms

The binding sites of Arsenic atom in the X-Ray Structure of the Ligand-Binding Core of GLUA2 in Complex with (S)-7-Hpca at 2.5 A Resolution (pdb code 3pd8). 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 X-Ray Structure of the Ligand-Binding Core of GLUA2 in Complex with (S)-7-Hpca at 2.5 A Resolution, PDB code: 3pd8:

Arsenic binding site 1 out of 1 in the X-Ray Structure of the Ligand-Binding Core of GLUA2 in Complex with (S)-7-Hpca at 2.5 A Resolution


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of X-Ray Structure of the Ligand-Binding Core of GLUA2 in Complex with (S)-7-Hpca at 2.5 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:As263 b:55.5 occ:1.00 AS C:CAC263 0.0 55.5 1.0 O2 C:CAC263 1.7 55.3 1.0 O1 C:CAC263 1.7 45.1 1.0 C2 C:CAC263 2.0 6.6 1.0 C1 C:CAC263 2.0 46.7 1.0 ZN B:ZN260 3.3 27.7 1.0 O C:HOH354 3.8 40.6 1.0 OG C:SER165 4.0 33.9 1.0 NE2 B:HIS43 4.0 27.1 1.0 CB C:SER165 4.1 9.6 1.0 OE2 C:GLU163 4.1 15.5 1.0 CE1 B:HIS43 4.1 56.4 1.0 O C:HOH273 4.2 22.4 1.0 O C:HOH378 4.3 31.5 1.0 CA C:SER165 4.4 23.1 1.0 O C:ALA162 4.5 11.5 1.0 CD B:LYS42 4.5 50.9 1.0 OE1 C:GLU163 4.7 34.9 1.0 CD C:GLU163 4.7 36.9 1.0 N C:SER165 4.7 13.2 1.0 O C:ARG160 4.8 29.6 1.0 OE1 B:GLU39 4.9 39.4 1.0 CD2 B:HIS43 5.0 20.2 1.0

K.Frydenvang, D.S.Pickering, J.R.Greenwood, N.Krogsgaard-Larsen, L.Brehm, B.Nielsen, S.B.Vogensen, H.Hald, J.S.Kastrup, P.Krogsgaard-Larsen, R.P.Clausen. Biostructural and Pharmacological Studies of Bicyclic Analogues of the 3-Isoxazolol Glutamate Receptor Agonist Ibotenic Acid. J. Med. Chem. V. 53 8354 2010.
ISSN: ISSN 1520-4804
PubMed: 21067182
DOI: 10.1021/JM101218A