Bromine in PDB 5u8c: Crystal Structure of GLUN1/GLUN2A Ligand-Binding Domain in Complex with Glycine and Nvp-AAM077

The structure of Crystal Structure of GLUN1/GLUN2A Ligand-Binding Domain in Complex with Glycine and Nvp-AAM077, PDB code: 5u8c was solved by A.Romero-Hernandez, H.Furukawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.20 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.550, 84.227, 121.218, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 20.4

The binding sites of Bromine atom in the Crystal Structure of GLUN1/GLUN2A Ligand-Binding Domain in Complex with Glycine and Nvp-AAM077 (pdb code 5u8c). 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 GLUN1/GLUN2A Ligand-Binding Domain in Complex with Glycine and Nvp-AAM077, PDB code: 5u8c:

Bromine binding site 1 out of 1 in the Crystal Structure of GLUN1/GLUN2A Ligand-Binding Domain in Complex with Glycine and Nvp-AAM077


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 GLUN1/GLUN2A Ligand-Binding Domain in Complex with Glycine and Nvp-AAM077 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br301 b:23.6 occ:1.00 BRAG B:84J301 0.0 23.6 1.0 CAR B:84J301 1.9 14.1 1.0 CAJ B:84J301 2.9 17.9 1.0 CAI B:84J301 2.9 17.7 1.0 O B:HOH558 3.4 25.4 1.0 OE1 A:GLU273 3.5 27.9 1.0 O B:HOH557 3.6 22.4 1.0 CD A:GLU273 3.7 23.1 1.0 O B:HOH556 3.7 20.1 1.0 O B:HOH479 3.8 23.3 1.0 CB B:ASN118 3.8 16.8 1.0 CG A:GLU273 3.9 15.9 1.0 ND2 B:ASN118 4.1 15.0 1.0 CAM B:84J301 4.2 15.4 1.0 CAL B:84J301 4.2 15.9 1.0 OE2 A:GLU273 4.3 24.0 1.0 CG B:ASN118 4.5 16.5 1.0 ND2 B:ASN177 4.6 18.3 1.0 O A:HOH1033 4.7 18.9 1.0 CAU B:84J301 4.7 18.6 1.0 CB A:GLU273 4.8 15.0 1.0 CB B:SER173 4.8 19.2 1.0

A.Romero-Hernandez, H.Furukawa. Novel Mode of Antagonist Binding in Nmda Receptors Revealed By the Crystal Structure of the GLUN1-GLUN2A Ligand-Binding Domain Complexed to Nvp-AAM077. Mol. Pharmacol. V. 92 22 2017.
ISSN: ESSN 1521-0111
PubMed: 28468946
DOI: 10.1124/MOL.116.107912