Chlorine in PDB 4iy5: Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L483Y- N754S) in Complex with Glutamate and CX516 at 2.0 A Resolution

The structure of Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L483Y- N754S) in Complex with Glutamate and CX516 at 2.0 A Resolution, PDB code: 4iy5 was solved by C.Krintel, K.Frydenvang, K.Harpsoe, M.Gajhede, J.S.Kastrup, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.43 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	99.080, 121.690, 47.300, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 20

The binding sites of Chlorine atom in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L483Y- N754S) in Complex with Glutamate and CX516 at 2.0 A Resolution (pdb code 4iy5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L483Y- N754S) in Complex with Glutamate and CX516 at 2.0 A Resolution, PDB code: 4iy5:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L483Y- N754S) in Complex with Glutamate and CX516 at 2.0 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 CX516 at 2.0 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:48.2 occ:1.00 N A:THR5 3.2 14.8 1.0 OG1 A:THR5 3.4 22.9 1.0 CD A:LYS4 3.5 43.5 1.0 CB A:THR5 3.8 19.2 1.0 CA A:LYS4 3.9 22.3 1.0 O A:HOH482 4.0 26.6 1.0 C A:LYS4 4.0 19.7 1.0 CA A:THR5 4.1 17.6 1.0 CB A:LYS4 4.2 26.1 1.0 CG A:LYS4 4.4 35.0 1.0 CE A:LYS4 4.5 45.1 1.0 O A:THR5 4.8 17.7 1.0 C A:THR5 5.0 14.2 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L483Y- N754S) in Complex with Glutamate and CX516 at 2.0 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 CX516 at 2.0 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl308 b:60.2 occ:1.00 NE2 B:GLN244 3.7 22.6 1.0 O B:HOH574 3.7 20.1 1.0 CE1 B:HIS46 3.7 38.7 1.0 NE2 B:HIS46 4.2 36.8 1.0 CD B:GLN244 4.6 20.2 1.0 OE1 B:GLN244 4.6 19.7 1.0 ND1 B:HIS46 4.7 37.5 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L483Y- N754S) in Complex with Glutamate and CX516 at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L483Y- N754S) in Complex with Glutamate and CX516 at 2.0 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl309 b:58.2 occ:1.00 NH1 B:ARG163 3.7 41.0 1.0 O B:HOH650 4.2 40.1 1.0 NH2 B:ARG163 4.5 42.1 1.0 CZ B:ARG163 4.6 40.9 1.0

C.Krintel, K.Harpsoe, L.G.Zachariassen, D.Peters, K.Frydenvang, D.S.Pickering, M.Gajhede, J.S.Kastrup. Structural Analysis of the Positive Ampa Receptor Modulators CX516 and Me-CX516 in Complex with the GLUA2 Ligand-Binding Domain Acta Crystallogr.,Sect.D V. 69 1645 2013.
ISSN: ISSN 0907-4449
PubMed: 23999288
DOI: 10.1107/S0907444913011839