Chlorine 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:

Potassium

(K)

2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was 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:

Chlorine binding site 1 out of 1 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 Chlorine with other atoms in the Cl 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:Cl904 b:70.5 occ:1.00 NZ A:LYS688 3.2 47.5 1.0 NZ A:LYS490 3.3 28.6 0.4 NZ A:LYS490 3.4 31.3 0.6 CE A:LYS490 3.5 30.0 0.6 CE A:LYS490 3.6 29.1 0.4 CE A:LYS688 4.0 41.3 1.0 O A:HOH1197 4.2 41.8 1.0 CD A:LYS688 4.3 41.3 1.0 OD2 A:ASP689 4.9 30.2 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