Bromine in PDB 2rc7: Crystal Structure of the NR3A Ligand Binding Core Complex with Glycine at 1.58 Angstrom Resolution

The structure of Crystal Structure of the NR3A Ligand Binding Core Complex with Glycine at 1.58 Angstrom Resolution, PDB code: 2rc7 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)	29.89 / 1.58
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.892, 97.568, 59.901, 90.00, 93.55, 90.00
R / Rfree (%)	14.8 / 17.7

The structure of Crystal Structure of the NR3A Ligand Binding Core Complex with Glycine at 1.58 Angstrom Resolution also contains other interesting chemical elements:

Chlorine

(Cl)

7 atoms

The binding sites of Bromine atom in the Crystal Structure of the NR3A Ligand Binding Core Complex with Glycine at 1.58 Angstrom Resolution (pdb code 2rc7). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of the NR3A Ligand Binding Core Complex with Glycine at 1.58 Angstrom Resolution, PDB code: 2rc7:

Bromine binding site 1 out of 1 in the Crystal Structure of the NR3A Ligand Binding Core Complex with Glycine at 1.58 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the NR3A Ligand Binding Core Complex with Glycine at 1.58 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Br295 b:14.0 occ:0.40 CL A:CL296 0.5 12.3 0.6 N A:ALA31 3.3 19.2 1.0 NH1 A:ARG21 3.4 12.2 1.0 O A:HOH400 3.5 24.6 1.0 C A:ALA31 3.6 20.8 1.0 N A:GLY32 3.6 19.2 1.0 C A:CYS29 3.7 16.1 1.0 CA A:ALA31 3.7 19.1 1.0 CA A:CYS29 3.8 17.1 1.0 CB A:ALA31 3.9 19.2 1.0 N A:PRO30 3.9 17.0 1.0 CD A:ARG21 4.0 10.4 1.0 CB A:CYS67 4.0 12.6 1.0 CB A:CYS29 4.0 14.9 1.0 O A:ALA31 4.1 23.2 1.0 O A:CYS29 4.1 17.3 1.0 SG A:CYS67 4.1 15.0 1.0 CD A:PRO30 4.2 17.3 1.0 CA A:GLY32 4.2 19.1 1.0 CZ A:ARG21 4.4 12.4 1.0 C A:PRO30 4.5 19.9 1.0 CG A:ARG21 4.6 10.2 1.0 NE A:ARG21 4.7 11.4 1.0 CA A:PRO30 4.7 18.6 1.0 SG A:CYS29 5.0 14.8 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