Chlorine in PDB 4u4s: Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L483Y- N754S) in Complex with Glutamate and BPAM25 at 1.90 A Resolution.

The structure of Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L483Y- N754S) in Complex with Glutamate and BPAM25 at 1.90 A Resolution., PDB code: 4u4s was solved by A.B.Noerholm, T.Deva, K.Frydenvang, J.S.Kastrup, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.01 / 1.90
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	97.830, 121.370, 47.330, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 20.8

The binding sites of Chlorine atom in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L483Y- N754S) in Complex with Glutamate and BPAM25 at 1.90 A Resolution. (pdb code 4u4s). 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 (S1S2J-L483Y- N754S) in Complex with Glutamate and BPAM25 at 1.90 A Resolution., PDB code: 4u4s:
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 (S1S2J-L483Y- N754S) in Complex with Glutamate and BPAM25 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 GLUA2 Ligand-Binding Domain (S1S2J-L483Y- N754S) in Complex with Glutamate and BPAM25 at 1.90 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl810 b:67.0 occ:1.00 O A:HOH1057 3.5 43.7 1.0 N A:ALA665 3.6 26.9 1.0 CG2 A:ILE664 4.1 26.0 1.0 CB A:ALA665 4.1 29.0 1.0 CA A:ILE664 4.2 23.7 1.0 C A:ILE664 4.4 25.2 1.0 CA A:ALA665 4.5 30.5 1.0 NZ B:LYS761 4.6 58.7 1.0 CB A:ILE664 4.7 25.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L483Y- N754S) in Complex with Glutamate and BPAM25 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 2 of Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L483Y- N754S) in Complex with Glutamate and BPAM25 at 1.90 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl810 b:58.8 occ:1.00 N B:THR394 3.4 12.7 1.0 CD B:LYS393 3.5 54.1 1.0 OG1 B:THR394 3.7 21.4 1.0 CB B:THR394 3.9 23.3 1.0 CE B:LYS393 4.0 57.4 1.0 CA B:LYS393 4.1 19.4 1.0 O B:HOH1027 4.1 27.9 1.0 CA B:THR394 4.2 14.5 1.0 C B:LYS393 4.2 19.1 1.0 CB B:LYS393 4.4 32.4 1.0 CG B:LYS393 4.5 45.8 1.0

P.Francotte, A.B.Nrholm, T.Deva, L.Olsen, K.Frydenvang, E.Goffin, P.Fraikin, P.De Tullio, S.Challal, J.Y.Thomas, F.Iop, C.Louis, I.Botez-Pop, P.Lestage, L.Danober, J.S.Kastrup, B.Pirotte. Positive Allosteric Modulators of 2AMINO-3-(3-Hydroxy-5-Methylisoxazol-4-Yl)Propionic Acid Receptors Belonging to 4-Cyclopropyl-3,4-Dihydro-2H-1,2,4-Pyridothiadiazine Dioxides and Diversely Chloro-Substituted 4-Cyclopropyl-3,4-Dihydro-2H-1,2,4-Benzothiadiazine 1,1-Dioxides. J.Med.Chem. 2014.
ISSN: ISSN 0022-2623
PubMed: 25375781
DOI: 10.1021/JM501268R