Potassium in PDB 4nwc: Crystal Structure of the GLUK3 Ligand-Binding Domain (S1S2) in Complex with the Agonist (2S,4R)-4-(3-Methoxy-3-Oxopropyl)Glutamic Acid at 2.01 A Resolution.

The structure of Crystal Structure of the GLUK3 Ligand-Binding Domain (S1S2) in Complex with the Agonist (2S,4R)-4-(3-Methoxy-3-Oxopropyl)Glutamic Acid at 2.01 A Resolution., PDB code: 4nwc was solved by A.P.Larsen, R.Venskutonyte, 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)	19.93 / 2.01
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	67.810, 67.810, 126.770, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 21.4

The structure of Crystal Structure of the GLUK3 Ligand-Binding Domain (S1S2) in Complex with the Agonist (2S,4R)-4-(3-Methoxy-3-Oxopropyl)Glutamic Acid at 2.01 A Resolution. also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Potassium atom in the Crystal Structure of the GLUK3 Ligand-Binding Domain (S1S2) in Complex with the Agonist (2S,4R)-4-(3-Methoxy-3-Oxopropyl)Glutamic Acid at 2.01 A Resolution. (pdb code 4nwc). 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 GLUK3 Ligand-Binding Domain (S1S2) in Complex with the Agonist (2S,4R)-4-(3-Methoxy-3-Oxopropyl)Glutamic Acid at 2.01 A Resolution., PDB code: 4nwc:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Crystal Structure of the GLUK3 Ligand-Binding Domain (S1S2) in Complex with the Agonist (2S,4R)-4-(3-Methoxy-3-Oxopropyl)Glutamic Acid at 2.01 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 GLUK3 Ligand-Binding Domain (S1S2) in Complex with the Agonist (2S,4R)-4-(3-Methoxy-3-Oxopropyl)Glutamic Acid at 2.01 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ A:K901 b:21.0 occ:0.50 O A:ASN433 2.7 27.1 1.0 OG A:SER480 2.8 11.4 1.0 O A:HOH1037 2.9 15.4 1.0 O A:HOH1187 3.0 36.4 1.0 C A:ASN433 3.9 33.4 1.0 CB A:SER480 4.0 12.6 1.0 O A:HOH1078 4.2 27.9 1.0 N A:SER480 4.3 10.4 1.0 C A:ARG434 4.6 15.6 1.0 O A:ARG434 4.6 17.1 1.0 OG A:SER435 4.6 17.8 1.0 CA A:ASN433 4.7 43.1 1.0 CA A:SER480 4.7 10.6 1.0 N A:SER435 4.8 12.8 1.0 N A:ARG434 4.9 25.4 1.0 CB A:ASN433 4.9 44.7 1.0 CA A:ARG434 5.0 19.3 1.0

Potassium binding site 2 out of 2 in the Crystal Structure of the GLUK3 Ligand-Binding Domain (S1S2) in Complex with the Agonist (2S,4R)-4-(3-Methoxy-3-Oxopropyl)Glutamic Acid at 2.01 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 GLUK3 Ligand-Binding Domain (S1S2) in Complex with the Agonist (2S,4R)-4-(3-Methoxy-3-Oxopropyl)Glutamic Acid at 2.01 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ A:K902 b:32.6 occ:1.00 O A:SER452 2.7 22.9 1.0 O A:ARG454 2.7 18.8 1.0 O A:HOH1191 2.8 20.1 1.0 O A:HOH1190 2.9 41.7 1.0 O A:HOH1189 2.9 42.6 1.0 O A:HOH1188 3.0 51.4 1.0 O A:HOH1226 3.1 48.5 1.0 C A:SER452 3.7 23.5 1.0 C A:ARG454 3.8 23.3 1.0 C A:ASP453 4.4 21.2 1.0 N A:SER452 4.4 18.8 1.0 CA A:THR455 4.4 19.5 1.0 CA A:SER452 4.4 20.7 1.0 N A:THR455 4.5 20.1 1.0 CB A:SER452 4.5 16.8 1.0 N A:ARG454 4.5 20.2 1.0 O A:ASP453 4.5 28.2 1.0 N A:ASP453 4.6 19.8 1.0 N A:LEU456 4.7 17.1 1.0 CA A:ASP453 4.8 21.2 1.0 O A:HOH1175 4.8 38.1 1.0 CA A:ARG454 4.8 28.6 1.0 CG A:LEU456 4.9 15.3 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