Chlorine in PDB 4igr: Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist ZA302

The structure of Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist ZA302, PDB code: 4igr was solved by A.P.Larsen, R.Venskutonyte, M.Gajhede, J.S.Kastrup, K.Frydenvang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.87 / 2.65
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	68.180, 68.180, 126.520, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 26.7

The structure of Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist ZA302 also contains other interesting chemical elements:

Potassium

(K)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist ZA302 (pdb code 4igr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist ZA302, PDB code: 4igr:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist ZA302


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist ZA302 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl904 b:49.6 occ:1.00 N A:LEU485 3.2 36.5 1.0 NH2 A:ARG461 3.7 28.9 1.0 NH1 A:ARG461 3.7 30.3 1.0 CA A:ARG484 3.7 41.0 1.0 C A:ARG484 3.9 41.1 1.0 CB A:LEU485 4.0 37.4 1.0 CG A:LEU485 4.2 36.5 1.0 CZ A:ARG461 4.2 29.4 1.0 CA A:LEU485 4.2 36.9 1.0 O A:ILE483 4.2 30.0 1.0 CB A:ARG484 4.4 41.8 1.0 CD1 A:LEU485 4.5 37.3 1.0 CZ A:PHE462 4.6 27.6 1.0 O A:LEU485 4.7 38.9 1.0 CG A:ARG484 4.7 42.0 1.0 N A:ARG484 4.8 39.9 1.0 C A:ILE483 4.9 29.5 1.0 C A:LEU485 5.0 38.0 1.0

Z.Assaf, A.P.Larsen, R.Venskutonyte, L.Han, B.Abrahamsen, B.Nielsen, M.Gajhede, J.S.Kastrup, A.A.Jensen, D.S.Pickering, K.Frydenvang, T.Gefflaut, L.Bunch. Chemoenzymatic Synthesis of New 2,4-Syn-Functionalized (S)-Glutamate Analogues and Structure-Activity Relationship Studies at Ionotropic Glutamate Receptors and Excitatory Amino Acid Transporters. J.Med.Chem. V. 56 1614 2013.
ISSN: ISSN 0022-2623
PubMed: 23414088
DOI: 10.1021/JM301433M