Chlorine in PDB 5buu: Crystal Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and Bpam-321 at 2.07 A Resolution

The structure of Crystal Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and Bpam-321 at 2.07 A Resolution, PDB code: 5buu was solved by A.P.Larsen, D.Tapken, K.Frydenvang, J.S.Kastrup, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.65 / 2.07
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	99.209, 122.270, 47.652, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 25

The binding sites of Chlorine atom in the Crystal Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and Bpam-321 at 2.07 A Resolution (pdb code 5buu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and Bpam-321 at 2.07 A Resolution, PDB code: 5buu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and Bpam-321 at 2.07 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 GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and Bpam-321 at 2.07 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:23.9 occ:0.74 CL1 A:4V6801 0.0 23.9 0.7 C6 A:4V6801 1.7 14.7 0.7 C1 A:4V6801 2.7 17.0 0.7 OG A:SER497 2.7 23.1 0.3 C5 A:4V6801 2.7 14.3 0.7 C5 B:4V6801 3.2 16.8 0.8 O A:LYS730 3.2 24.6 1.0 CB A:SER497 3.3 25.4 0.7 CB A:SER497 3.3 25.6 0.3 CL1 B:4V6801 3.6 29.1 0.8 C6 B:4V6801 3.6 17.4 0.8 CA A:SER497 3.6 25.3 0.7 CA A:SER497 3.6 25.3 0.3 O B:HOH958 3.9 43.8 1.0 O2 A:SO4805 3.9 22.3 0.3 C A:LYS730 3.9 22.1 1.0 O A:HOH976 4.0 28.6 1.0 C2 A:4V6801 4.0 21.4 0.7 C4 A:4V6801 4.0 12.7 0.7 C4 B:4V6801 4.1 13.8 0.8 CA A:GLY731 4.1 26.2 1.0 CG A:PRO494 4.2 28.0 1.0 CB A:PRO494 4.2 27.1 1.0 O A:HOH903 4.2 17.9 0.2 N A:SER497 4.3 25.6 1.0 N A:GLY731 4.3 24.8 1.0 O A:MET496 4.3 28.3 1.0 OG A:SER497 4.5 29.6 0.7 C A:MET496 4.5 25.7 1.0 OG B:SER497 4.5 20.6 0.2 C3 A:4V6801 4.6 12.9 0.7 C1 B:4V6801 4.6 17.9 0.8 CA A:LYS730 4.8 21.4 1.0 C A:SER497 4.9 26.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and Bpam-321 at 2.07 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and Bpam-321 at 2.07 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl801 b:29.1 occ:0.76 CL1 B:4V6801 0.0 29.1 0.8 C6 B:4V6801 1.7 17.4 0.8 OG B:SER497 2.5 20.6 0.2 C1 B:4V6801 2.7 17.9 0.8 C5 B:4V6801 2.7 16.8 0.8 O A:HOH903 2.9 17.9 0.2 C5 A:4V6801 3.3 14.3 0.7 O B:LYS730 3.3 24.7 1.0 CB B:SER497 3.4 24.5 0.2 CB B:SER497 3.4 24.4 0.8 CL1 A:4V6801 3.6 23.9 0.7 C6 A:4V6801 3.6 14.7 0.7 CA B:SER497 3.6 24.9 0.2 CA B:SER497 3.6 25.1 0.8 O B:HOH937 3.8 29.5 1.0 O B:HOH958 3.8 43.8 1.0 C B:LYS730 3.9 24.5 1.0 C2 B:4V6801 4.0 19.0 0.8 C4 B:4V6801 4.0 13.8 0.8 CA B:GLY731 4.1 25.4 1.0 CB B:PRO494 4.2 21.0 1.0 C4 A:4V6801 4.2 12.7 0.7 CG B:PRO494 4.2 21.3 1.0 O B:MET496 4.3 28.2 1.0 N B:SER497 4.3 22.3 1.0 N B:GLY731 4.3 26.6 1.0 C B:MET496 4.5 24.2 1.0 C3 B:4V6801 4.6 16.8 0.8 C1 A:4V6801 4.6 17.0 0.7 OG B:SER497 4.7 26.7 0.8 OG A:SER497 4.7 23.1 0.3 CA B:LYS730 4.8 25.2 1.0 C B:SER497 4.9 29.4 1.0

A.P.Larsen, P.Francotte, K.Frydenvang, D.Tapken, E.Goffin, P.Fraikin, D.H.Caignard, P.Lestage, L.Danober, B.Pirotte, J.S.Kastrup. Synthesis and Pharmacology of Mono-, Di-, and Trialkyl-Substituted 7-Chloro-3,4-Dihydro-2H-1,2,4-Benzothiadiazine 1,1-Dioxides Combined with X-Ray Structure Analysis to Understand the Unexpected Structure-Activity Relationship at Ampa Receptors. Acs Chem Neurosci V. 7 378 2016.
ISSN: ESSN 1948-7193
PubMed: 26771108
DOI: 10.1021/ACSCHEMNEURO.5B00318