Chlorine in PDB 6xq7: Receptor For Advanced Glycation End Products VC1 Domain in Complex with Fragment 5

The structure of Receptor For Advanced Glycation End Products VC1 Domain in Complex with Fragment 5, PDB code: 6xq7 was solved by L.E.Salay, N.Kozlyuk, B.A.Gilston, R.D.Gogliotti, P.P.Christov, K.Kim, M.Ovee, A.G.Waterson, W.J.Chazin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.92 / 1.80
Space group	P 62
Cell size a, b, c (Å), α, β, γ (°)	102.905, 102.905, 101.769, 90, 90, 120
R / Rfree (%)	19.9 / 22.2

The structure of Receptor For Advanced Glycation End Products VC1 Domain in Complex with Fragment 5 also contains other interesting chemical elements:

Bromine

(Br)

7 atoms

The binding sites of Chlorine atom in the Receptor For Advanced Glycation End Products VC1 Domain in Complex with Fragment 5 (pdb code 6xq7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Receptor For Advanced Glycation End Products VC1 Domain in Complex with Fragment 5, PDB code: 6xq7:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Receptor For Advanced Glycation End Products VC1 Domain in Complex with Fragment 5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Receptor For Advanced Glycation End Products VC1 Domain in Complex with Fragment 5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:33.3 occ:1.00 N B:ARG179 3.2 17.7 1.0 CB B:ARG178 3.6 30.0 1.0 CA B:ARG178 3.7 18.0 1.0 C B:ARG178 3.9 22.9 1.0 O B:ARG179 3.9 18.8 1.0 CA B:ARG179 4.3 17.5 1.0 CB B:ARG179 4.5 23.1 1.0 C B:ARG179 4.6 18.5 1.0 O B:THR177 4.8 23.0 1.0 CG B:ARG178 4.9 30.0 1.0

Chlorine binding site 2 out of 2 in the Receptor For Advanced Glycation End Products VC1 Domain in Complex with Fragment 5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Receptor For Advanced Glycation End Products VC1 Domain in Complex with Fragment 5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl306 b:35.3 occ:1.00 O B:HOH484 2.6 40.4 1.0 N B:GLU59 3.1 21.0 1.0 CA B:THR58 3.7 18.2 1.0 O B:GLU59 3.8 28.0 1.0 C B:THR58 3.9 18.5 1.0 CB B:THR58 3.9 18.2 1.0 CA B:GLU59 4.0 23.7 1.0 CB B:GLU59 4.0 24.0 1.0 C B:GLU59 4.3 21.9 1.0 CG2 B:THR58 4.6 19.2 1.0 O B:ARG57 4.7 25.5 1.0 CB B:LYS62 4.7 20.1 1.0 CD B:LYS62 4.8 34.6 1.0 N B:THR58 4.9 17.9 1.0

N.Kozlyuk, B.A.Gilston, L.E.Salay, R.D.Gogliotti, P.P.Christov, K.Kim, M.Ovee, A.G.Waterson, W.J.Chazin. A Fragment-Based Approach to Discovery of Rage Inhibitors To Be Published.