Chlorine in PDB 5mfq: Crystal Structure of the GLUK1 Ligand-Binding Domain in Complex with Kainate and Bpam-344 at 1.90 A Resolution

The structure of Crystal Structure of the GLUK1 Ligand-Binding Domain in Complex with Kainate and Bpam-344 at 1.90 A Resolution, PDB code: 5mfq was solved by A.P.Larsen, K.Frydenvang, J.S.Kastrup, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.43 / 1.90
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	71.013, 71.013, 234.854, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 19.5

The structure of Crystal Structure of the GLUK1 Ligand-Binding Domain in Complex with Kainate and Bpam-344 at 1.90 A Resolution also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the GLUK1 Ligand-Binding Domain in Complex with Kainate and Bpam-344 at 1.90 A Resolution (pdb code 5mfq). 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 GLUK1 Ligand-Binding Domain in Complex with Kainate and Bpam-344 at 1.90 A Resolution, PDB code: 5mfq:

Chlorine binding site 1 out of 1 in the Crystal Structure of the GLUK1 Ligand-Binding Domain in Complex with Kainate and Bpam-344 at 1.90 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 GLUK1 Ligand-Binding Domain in Complex with Kainate and Bpam-344 at 1.90 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl904 b:26.4 occ:1.00 O A:HOH1083 2.8 26.7 1.0 O B:HOH1116 2.9 20.2 1.0 NZ A:LYS531 3.0 11.1 1.0 NZ B:LYS531 3.2 13.1 1.0 CG A:LYS531 3.9 15.6 1.0 CD A:LYS531 4.0 17.7 1.0 NH1 B:ARG775 4.0 20.7 1.0 CD B:LYS531 4.0 24.5 1.0 CE A:LYS531 4.0 14.8 1.0 CE B:LYS531 4.1 16.2 1.0 O B:PHE529 4.1 13.2 1.0 O A:PHE529 4.1 12.2 1.0 NH1 A:ARG775 4.1 24.2 1.0 CG B:LYS531 4.1 20.9 1.0 N A:LYS531 4.4 10.4 1.0 N B:LYS531 4.4 9.7 1.0 CZ B:ARG775 4.5 24.8 1.0 C A:SER530 4.6 12.6 1.0 C B:SER530 4.6 9.3 1.0 CZ A:ARG775 4.7 25.5 1.0 CA A:LYS531 4.7 10.8 1.0 CD B:ARG775 4.7 21.4 1.0 CA B:LYS531 4.7 12.9 1.0 OG1 A:THR779 4.8 12.5 1.0 OG1 B:THR779 4.8 12.0 1.0 NE B:ARG775 4.8 22.5 1.0 CD A:ARG775 4.8 27.2 1.0 O A:SER530 4.9 10.1 1.0 O A:HOH1139 4.9 38.0 1.0 O B:SER530 4.9 9.6 1.0 CB A:LYS531 4.9 11.7 1.0 NE A:ARG775 5.0 27.5 1.0

A.P.Larsen, S.Fievre, K.Frydenvang, P.Francotte, B.Pirotte, J.S.Kastrup, C.Mulle. Identification and Structure-Function Study of Positive Allosteric Modulators of Kainate Receptors. Mol. Pharmacol. V. 91 576 2017.
ISSN: ESSN 1521-0111
PubMed: 28360094
DOI: 10.1124/MOL.116.107599