Chlorine in PDB 5elv: Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L504-N775) in Complex with Glutamate and Bpam-521 at 1.92 A Resolution

The structure of Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L504-N775) in Complex with Glutamate and Bpam-521 at 1.92 A Resolution, PDB code: 5elv was solved by C.Krintel, L.Juknaite, K.Frydenvang, J.S.Kastrup, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.80 / 1.92
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	98.790, 122.480, 47.540, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 20.9

The binding sites of Chlorine atom in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L504-N775) in Complex with Glutamate and Bpam-521 at 1.92 A Resolution (pdb code 5elv). 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-L504-N775) in Complex with Glutamate and Bpam-521 at 1.92 A Resolution, PDB code: 5elv:
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-L504-N775) in Complex with Glutamate and Bpam-521 at 1.92 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-L504-N775) in Complex with Glutamate and Bpam-521 at 1.92 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:53.5 occ:1.00 NH1 A:ARG163 3.3 34.5 1.0 CZ A:ARG163 4.3 45.8 1.0 NH2 A:ARG163 4.3 42.6 1.0 O A:HOH460 4.9 31.2 1.0 OG A:SER164 4.9 29.7 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L504-N775) in Complex with Glutamate and Bpam-521 at 1.92 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-L504-N775) in Complex with Glutamate and Bpam-521 at 1.92 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:45.0 occ:1.00 CD A:LYS21 3.5 30.8 1.0 O A:HOH555 3.6 13.7 1.0 N A:ASN22 3.7 14.8 1.0 CE A:LYS21 3.8 43.8 1.0 O A:HOH492 4.0 37.1 1.0 CA A:LYS21 4.2 14.3 1.0 CD2 A:HIS23 4.3 13.9 1.0 C A:LYS21 4.5 7.1 1.0 CA A:ASN22 4.5 13.8 1.0 O A:LYS20 4.6 12.9 1.0 NE2 A:HIS23 4.6 11.7 1.0 CG A:LYS21 4.7 33.1 1.0 NZ A:LYS21 4.8 36.6 1.0 N A:HIS23 5.0 9.2 1.0 CB A:LYS21 5.0 18.0 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L504-N775) in Complex with Glutamate and Bpam-521 at 1.92 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-L504-N775) in Complex with Glutamate and Bpam-521 at 1.92 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:52.8 occ:1.00 N B:THR5 3.3 14.2 1.0 CG B:LYS4 3.6 34.3 1.0 OG1 B:THR5 3.7 24.3 1.0 CA B:LYS4 3.9 25.2 1.0 O B:HOH454 3.9 30.8 1.0 CB B:THR5 4.0 23.8 1.0 C B:LYS4 4.1 19.5 1.0 CB B:LYS4 4.1 26.4 1.0 CA B:THR5 4.2 15.2 1.0 CD B:LYS4 4.3 38.1 1.0 CE B:LYS4 4.5 46.2 1.0 O B:ASN3 4.9 24.1 1.0 O B:THR5 4.9 10.6 1.0

C.Krintel, P.Francotte, D.S.Pickering, L.Juknaite, J.Phlsgaard, L.Olsen, K.Frydenvang, E.Goffin, B.Pirotte, J.S.Kastrup. Enthalpy-Entropy Compensation in the Binding of Modulators at Ionotropic Glutamate Receptor GLUA2. Biophys.J. V. 110 2397 2016.
ISSN: ESSN 1542-0086
PubMed: 27276258
DOI: 10.1016/J.BPJ.2016.04.032