Bromine in PDB 1my3: Crystal Structure of Glutamate Receptor Ligand-Binding Core in Complex with Bromo-Willardiine in the Zn Crystal Form

The structure of Crystal Structure of Glutamate Receptor Ligand-Binding Core in Complex with Bromo-Willardiine in the Zn Crystal Form, PDB code: 1my3 was solved by R.Jin, E.Gouaux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.29 / 1.75
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	114.061, 163.406, 47.848, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 25.5

The structure of Crystal Structure of Glutamate Receptor Ligand-Binding Core in Complex with Bromo-Willardiine in the Zn Crystal Form also contains other interesting chemical elements:

Zinc

(Zn)

5 atoms

The binding sites of Bromine atom in the Crystal Structure of Glutamate Receptor Ligand-Binding Core in Complex with Bromo-Willardiine in the Zn Crystal Form (pdb code 1my3). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Crystal Structure of Glutamate Receptor Ligand-Binding Core in Complex with Bromo-Willardiine in the Zn Crystal Form, PDB code: 1my3:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the Crystal Structure of Glutamate Receptor Ligand-Binding Core in Complex with Bromo-Willardiine in the Zn Crystal Form


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 Glutamate Receptor Ligand-Binding Core in Complex with Bromo-Willardiine in the Zn Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Br800 b:24.6 occ:1.00 BR5 A:BWD800 0.0 24.6 1.0 C5 A:BWD800 1.9 21.4 1.0 C6 A:BWD800 2.8 20.7 1.0 C4 A:BWD800 2.9 20.4 1.0 O4 A:BWD800 3.2 19.9 1.0 O A:HOH842 3.4 19.1 1.0 OG1 A:THR174 3.7 20.3 1.0 CE A:MET196 3.7 20.2 1.0 CB A:MET196 3.8 10.3 1.0 CG A:MET196 3.9 12.3 1.0 OE1 A:GLU193 4.1 15.2 1.0 N1 A:BWD800 4.1 19.6 1.0 O A:HOH851 4.1 18.8 1.0 N3 A:BWD800 4.2 17.0 1.0 OE1 A:GLU13 4.3 20.7 1.0 CD A:GLU13 4.3 19.8 1.0 CB A:GLU193 4.5 15.3 1.0 OE2 A:GLU13 4.5 21.1 1.0 OH A:TYR61 4.6 17.1 1.0 OH A:TYR220 4.6 13.3 1.0 SD A:MET196 4.7 18.7 1.0 C2 A:BWD800 4.7 18.8 1.0 N A:GLU193 4.8 14.1 1.0 CG A:GLU13 4.8 18.0 1.0 CD A:GLU193 4.9 16.0 1.0 CG A:GLU193 4.9 14.2 1.0 CB A:THR174 4.9 18.4 1.0 CG2 A:THR174 4.9 16.1 1.0

Bromine binding site 2 out of 3 in the Crystal Structure of Glutamate Receptor Ligand-Binding Core in Complex with Bromo-Willardiine in the Zn Crystal Form


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 Glutamate Receptor Ligand-Binding Core in Complex with Bromo-Willardiine in the Zn Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Br801 b:24.5 occ:1.00 BR5 B:BWD801 0.0 24.5 1.0 C5 B:BWD801 1.9 17.6 1.0 C6 B:BWD801 2.8 13.0 1.0 C4 B:BWD801 2.9 18.6 1.0 O4 B:BWD801 3.1 19.5 1.0 O B:HOH826 3.5 15.9 1.0 OG1 B:THR174 3.7 16.8 1.0 CE B:MET196 3.7 26.2 1.0 CB B:MET196 3.8 16.4 1.0 CG B:MET196 3.9 21.8 1.0 N1 B:BWD801 4.1 14.6 1.0 OE1 B:GLU193 4.1 12.3 1.0 O B:HOH947 4.1 22.3 1.0 N3 B:BWD801 4.1 16.5 1.0 OE2 B:GLU13 4.3 19.8 1.0 CB B:GLU193 4.4 8.3 1.0 CD B:GLU13 4.4 23.6 1.0 N B:GLU193 4.6 10.2 1.0 OH B:TYR61 4.6 16.7 1.0 CG2 B:THR174 4.7 14.4 1.0 SD B:MET196 4.7 29.9 1.0 C2 B:BWD801 4.7 15.4 1.0 OE1 B:GLU13 4.7 27.8 1.0 CB B:THR174 4.8 15.9 1.0 OH B:TYR220 4.8 11.4 1.0 CD B:GLU193 4.8 9.6 1.0 CG B:GLU193 4.9 10.0 1.0 CG B:GLU13 4.9 23.4 1.0

Bromine binding site 3 out of 3 in the Crystal Structure of Glutamate Receptor Ligand-Binding Core in Complex with Bromo-Willardiine in the Zn Crystal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of Glutamate Receptor Ligand-Binding Core in Complex with Bromo-Willardiine in the Zn Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ C:Br802 b:33.9 occ:1.00 BR5 C:BWD802 0.0 33.9 1.0 C5 C:BWD802 1.9 28.0 1.0 C6 C:BWD802 2.8 24.2 1.0 C4 C:BWD802 2.9 25.1 1.0 O4 C:BWD802 3.1 25.7 1.0 OG1 C:THR174 3.6 26.2 1.0 O C:HOH815 3.6 26.4 1.0 CB C:MET196 3.8 28.1 1.0 O C:HOH826 3.9 28.3 1.0 CE C:MET196 4.0 39.8 1.0 CG C:MET196 4.0 33.3 1.0 OE1 C:GLU193 4.0 20.3 1.0 N1 C:BWD802 4.1 23.8 1.0 N3 C:BWD802 4.1 22.9 1.0 OE2 C:GLU13 4.3 26.8 1.0 CB C:GLU193 4.4 19.0 1.0 CD C:GLU13 4.5 26.5 1.0 CG2 C:THR174 4.6 22.2 1.0 OH C:TYR61 4.6 20.9 1.0 N C:GLU193 4.6 19.3 1.0 CB C:THR174 4.7 26.1 1.0 C2 C:BWD802 4.7 22.3 1.0 CG C:GLU193 4.7 18.5 1.0 CD C:GLU193 4.7 20.1 1.0 CG C:GLU13 4.9 28.3 1.0 OH C:TYR220 4.9 18.2 1.0 SD C:MET196 4.9 39.2 1.0 OE1 C:GLU13 5.0 29.4 1.0 CD2 C:LEU138 5.0 26.8 1.0

R.Jin, E.Gouaux. Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GLUR2 Ligand-Binding Core: Studies of 5-Substituted Willardiines and GLUR2 S1S2 in the Crystal Biochemistry V. 42 5201 2003.
ISSN: ISSN 0006-2960
PubMed: 12731861
DOI: 10.1021/BI020632T