Chlorine in PDB 2rc8: Crystal Structure of the NR3A Ligand Binding Core Complex with D- Serine at 1.45 Angstrom Resolution

The structure of Crystal Structure of the NR3A Ligand Binding Core Complex with D- Serine at 1.45 Angstrom Resolution, PDB code: 2rc8 was solved by Y.Yao, M.L.Mayer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.84 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.790, 97.701, 60.050, 90.00, 93.60, 90.00
R / Rfree (%)	15.3 / 17.8

The binding sites of Chlorine atom in the Crystal Structure of the NR3A Ligand Binding Core Complex with D- Serine at 1.45 Angstrom Resolution (pdb code 2rc8). 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 NR3A Ligand Binding Core Complex with D- Serine at 1.45 Angstrom Resolution, PDB code: 2rc8:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the NR3A Ligand Binding Core Complex with D- Serine at 1.45 Angstrom 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 NR3A Ligand Binding Core Complex with D- Serine at 1.45 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl295 b:29.5 occ:1.00 O B:HOH545 3.5 41.5 1.0 N A:PHE141 3.7 7.3 1.0 C A:PHE141 3.7 7.8 1.0 O A:PHE141 3.8 8.2 1.0 O A:PRO139 3.8 8.9 1.0 CA A:PHE141 3.9 7.8 1.0 CB A:PRO139 4.0 7.9 1.0 C A:PHE140 4.0 7.9 1.0 NZ A:LYS274 4.0 19.1 1.0 CG A:PRO139 4.1 9.7 1.0 C A:PRO139 4.1 7.2 1.0 N A:SER142 4.1 7.4 1.0 CB A:SER142 4.2 12.9 1.0 CD A:LYS274 4.5 15.1 1.0 O A:PHE140 4.5 11.3 1.0 N A:PHE140 4.5 6.8 1.0 CA A:PHE140 4.6 8.0 1.0 CA A:PRO139 4.7 7.6 1.0 CA A:SER142 4.7 9.2 1.0 O A:HOH964 4.7 23.4 1.0 O A:HOH1012 4.9 22.6 1.0 CE A:LYS274 4.9 19.2 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the NR3A Ligand Binding Core Complex with D- Serine at 1.45 Angstrom 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 NR3A Ligand Binding Core Complex with D- Serine at 1.45 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl296 b:41.1 occ:1.00 O A:HOH1210 2.3 23.5 1.0 O A:HOH1143 3.0 36.2 1.0 SG A:CYS67 3.1 18.2 0.3 N A:ALA31 3.5 22.1 1.0 NH1 A:ARG21 3.7 13.1 1.0 C A:CYS29 3.7 19.9 1.0 CA A:CYS29 3.7 19.1 1.0 N A:PRO30 3.8 20.8 1.0 CD A:PRO30 3.9 20.6 1.0 CD A:ARG21 4.0 10.1 1.0 CB A:ALA31 4.0 22.9 1.0 CA A:ALA31 4.0 22.1 1.0 N A:GLY32 4.0 21.0 1.0 SG A:CYS67 4.0 10.6 0.7 CB A:CYS29 4.1 16.6 1.0 CB A:CYS67 4.2 12.1 0.7 O A:CYS29 4.2 20.9 1.0 C A:ALA31 4.2 22.6 1.0 CB A:CYS67 4.2 15.6 0.3 C A:PRO30 4.5 23.1 1.0 CA A:PRO30 4.6 22.0 1.0 CG A:ARG21 4.7 10.6 1.0 CZ A:ARG21 4.7 10.9 1.0 NE A:ARG21 4.8 10.8 1.0 CA A:GLY32 4.8 19.7 1.0 CB A:PRO30 4.9 21.1 1.0 CG A:PRO30 4.9 20.8 1.0 O A:ALA31 5.0 24.4 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the NR3A Ligand Binding Core Complex with D- Serine at 1.45 Angstrom 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 NR3A Ligand Binding Core Complex with D- Serine at 1.45 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl295 b:28.2 occ:1.00 N B:PHE141 3.6 6.0 1.0 C B:PHE141 3.6 5.2 1.0 O B:PHE141 3.7 6.0 1.0 O B:HOH545 3.7 41.5 1.0 O B:PRO139 3.8 8.9 1.0 CA B:PHE141 3.8 6.2 1.0 NZ B:LYS274 3.9 19.5 1.0 CB B:PRO139 4.0 8.4 1.0 C B:PHE140 4.0 7.4 1.0 CG B:PRO139 4.1 10.1 1.0 N B:SER142 4.1 6.7 1.0 C B:PRO139 4.1 7.0 1.0 CB B:SER142 4.2 12.2 1.0 CD B:LYS274 4.4 14.7 1.0 O B:PHE140 4.4 8.7 1.0 N B:PHE140 4.5 6.9 1.0 CA B:PHE140 4.6 6.8 1.0 O B:HOH351 4.7 21.0 1.0 CA B:SER142 4.7 8.7 1.0 CA B:PRO139 4.7 7.3 1.0 O B:HOH368 4.7 18.4 1.0 CE B:LYS274 4.8 18.4 1.0

Y.Yao, C.B.Harrison, P.L.Freddolino, K.Schulten, M.L.Mayer. Molecular Mechanism of Ligand Recognition By NR3 Subtype Glutamate Receptors. Embo J. V. 27 2158 2008.
ISSN: ISSN 0261-4189
PubMed: 18636091
DOI: 10.1038/EMBOJ.2008.140