Potassium in PDB 4nwd: Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist (2S,4R)-4-(3-Methylamino-3-Oxopropyl) Glutamic Acid at 2.6 A Resolution

The structure of Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist (2S,4R)-4-(3-Methylamino-3-Oxopropyl) Glutamic Acid at 2.6 A Resolution, PDB code: 4nwd was solved by R.Venskutonyte, A.P.Larsen, K.Frydenvang, M.Gajhede, J.S.Kastrup, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.55 / 2.60
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	68.650, 68.650, 126.830, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 26.5

The structure of Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist (2S,4R)-4-(3-Methylamino-3-Oxopropyl) Glutamic Acid at 2.6 A Resolution also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Potassium atom in the Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist (2S,4R)-4-(3-Methylamino-3-Oxopropyl) Glutamic Acid at 2.6 A Resolution (pdb code 4nwd). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist (2S,4R)-4-(3-Methylamino-3-Oxopropyl) Glutamic Acid at 2.6 A Resolution, PDB code: 4nwd:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist (2S,4R)-4-(3-Methylamino-3-Oxopropyl) Glutamic Acid at 2.6 A Resolution


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist (2S,4R)-4-(3-Methylamino-3-Oxopropyl) Glutamic Acid at 2.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:K302 b:45.5 occ:1.00 O A:ARG26 2.6 41.7 1.0 O A:SER24 2.7 44.0 1.0 C A:SER24 3.6 43.5 1.0 C A:ARG26 3.7 42.6 1.0 O A:ASP25 4.2 47.6 1.0 C A:ASP25 4.2 46.2 1.0 CA A:THR27 4.3 41.8 1.0 CA A:SER24 4.3 41.2 1.0 CB A:SER24 4.3 39.4 1.0 N A:SER24 4.3 40.6 1.0 N A:THR27 4.3 43.0 1.0 N A:ASP25 4.5 44.9 1.0 N A:ARG26 4.5 44.3 1.0 O A:HOH424 4.6 31.1 1.0 CA A:ASP25 4.7 47.1 1.0 CA A:ARG26 4.8 43.5 1.0 N A:LEU28 4.8 38.0 1.0 OG A:SER24 4.9 40.1 1.0

Potassium binding site 2 out of 2 in the Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist (2S,4R)-4-(3-Methylamino-3-Oxopropyl) Glutamic Acid at 2.6 A Resolution


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist (2S,4R)-4-(3-Methylamino-3-Oxopropyl) Glutamic Acid at 2.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:K303 b:57.3 occ:0.50 OG A:SER52 3.0 23.4 1.0 O A:HOH405 3.0 26.6 1.0 O A:ASN5 3.5 83.4 1.0 O A:HOH448 3.7 60.3 1.0 CB A:SER52 4.0 21.6 1.0 N A:SER52 4.3 19.5 1.0 C A:ASN5 4.3 83.7 1.0 C A:ARG6 4.5 47.3 1.0 O A:ARG6 4.5 46.2 1.0 N A:SER7 4.6 41.4 1.0 OG A:SER7 4.7 38.5 1.0 CA A:SER52 4.7 19.4 1.0 N A:ARG6 4.8 51.0 1.0 CA A:ARG6 4.9 50.2 1.0

R.Venskutonyte, A.P.Larsen, K.Frydenvang, M.Gajhede, E.Sagot, Z.Assaf, T.Gefflaut, D.S.Pickering, L.Bunch, J.S.Kastrup. Molecular Recognition of Two 2,4-Syn-Functionalized (S)-Glutamate Analogues By the Kainate Receptor GLUK3 Ligand Binding Domain. Chemmedchem V. 9 2254 2014.
ISSN: ISSN 1860-7179
PubMed: 25044437
DOI: 10.1002/CMDC.201402204