Bromine in PDB 3n7s: Crystal Structure of the Ectodomain Complex of the Cgrp Receptor, A Class-B Gpcr, Reveals the Site of Drug Antagonism

The structure of Crystal Structure of the Ectodomain Complex of the Cgrp Receptor, A Class-B Gpcr, Reveals the Site of Drug Antagonism, PDB code: 3n7s was solved by E.Ter Haar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.17 / 2.10
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	73.305, 119.131, 137.158, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 22.6

The binding sites of Bromine atom in the Crystal Structure of the Ectodomain Complex of the Cgrp Receptor, A Class-B Gpcr, Reveals the Site of Drug Antagonism (pdb code 3n7s). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of the Ectodomain Complex of the Cgrp Receptor, A Class-B Gpcr, Reveals the Site of Drug Antagonism, PDB code: 3n7s:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of the Ectodomain Complex of the Cgrp Receptor, A Class-B Gpcr, Reveals the Site of Drug Antagonism


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 Ectodomain Complex of the Cgrp Receptor, A Class-B Gpcr, Reveals the Site of Drug Antagonism within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1 b:29.1 occ:0.58 BR17 A:3N61 0.0 29.1 0.6 C16 A:3N61 1.9 31.1 1.0 C15 A:3N61 2.8 29.9 1.0 C18 A:3N61 2.9 34.5 1.0 O19 A:3N61 3.1 36.6 1.0 O D:ALA70 3.5 28.4 1.0 O A:HOH202 3.5 37.5 1.0 C D:ALA70 3.6 29.6 1.0 N D:ASP71 3.7 28.1 1.0 CA D:ASP71 3.8 29.2 1.0 CB D:TRP74 3.8 25.1 1.0 CB D:ALA70 4.0 26.2 1.0 C2 A:3N61 4.1 47.0 1.0 C14 A:3N61 4.2 29.7 1.0 C20 A:3N61 4.2 34.0 1.0 OD2 D:ASP71 4.3 57.4 1.0 CE A:MET42 4.3 35.9 1.0 CG D:TRP74 4.3 27.1 1.0 CA D:ALA70 4.5 25.4 1.0 N1 A:3N61 4.5 47.4 1.0 CZ2 D:TRP84 4.5 27.6 1.0 CE3 D:TRP74 4.5 27.5 1.0 CB D:ASP71 4.5 33.1 1.0 CD2 D:TRP74 4.6 27.0 1.0 CH2 D:TRP84 4.7 28.1 1.0 C22 A:3N61 4.7 31.4 1.0 CG D:ASP71 4.8 50.8 1.0 C D:ASP71 4.9 33.4 1.0 SD A:MET42 5.0 39.7 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of the Ectodomain Complex of the Cgrp Receptor, A Class-B Gpcr, Reveals the Site of Drug Antagonism


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of the Ectodomain Complex of the Cgrp Receptor, A Class-B Gpcr, Reveals the Site of Drug Antagonism within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1 b:37.0 occ:0.58 BR21 A:3N61 0.0 37.0 0.6 C20 A:3N61 1.9 34.0 1.0 C22 A:3N61 2.8 31.4 1.0 C18 A:3N61 2.8 34.5 1.0 O19 A:3N61 3.0 36.6 1.0 O A:HOH222 3.2 51.8 1.0 C4 A:3N61 4.0 43.1 1.0 CG A:ARG38 4.0 43.1 1.0 C14 A:3N61 4.1 29.7 1.0 CA A:ARG38 4.1 39.3 1.0 C16 A:3N61 4.1 31.1 1.0 CB A:ARG38 4.2 39.6 1.0 CD1 A:ILE41 4.5 39.5 1.0 C15 A:3N61 4.6 29.9 1.0 N A:ARG38 4.7 41.0 1.0 C3 A:3N61 4.9 45.3 1.0 C2 A:3N61 5.0 47.0 1.0

E.Ter Haar, C.M.Koth, N.Abdul-Manan, L.Swenson, J.T.Coll, J.A.Lippke, C.A.Lepre, M.Garcia-Guzman, J.M.Moore. Crystal Structure of the Ectodomain Complex of the Cgrp Receptor, A Class-B Gpcr, Reveals the Site of Drug Antagonism. Structure V. 18 1083 2010.
ISSN: ISSN 0969-2126
PubMed: 20826335
DOI: 10.1016/J.STR.2010.05.014