Chlorine in PDB 6xq8: Receptor For Advanced Glycation End Products VC1 Domain in Complex with Fragments 1 & 11

The structure of Receptor For Advanced Glycation End Products VC1 Domain in Complex with Fragments 1 & 11, PDB code: 6xq8 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)	45.69 / 1.82
Space group	P 62
Cell size a, b, c (Å), α, β, γ (°)	102.017, 102.017, 102.779, 90, 90, 120
R / Rfree (%)	19.8 / 21.8

The binding sites of Chlorine atom in the Receptor For Advanced Glycation End Products VC1 Domain in Complex with Fragments 1 & 11 (pdb code 6xq8). 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 Fragments 1 & 11, PDB code: 6xq8:
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 Fragments 1 & 11


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 Fragments 1 & 11 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:28.2 occ:1.00 N B:ARG179 3.2 19.7 1.0 CA B:ARG178 3.6 22.9 1.0 C B:ARG178 3.9 24.2 1.0 CB B:ARG178 4.0 25.6 1.0 O B:ARG179 4.1 20.8 1.0 CA B:ARG179 4.2 20.2 1.0 CB B:ARG179 4.3 25.2 1.0 CG B:ARG178 4.5 32.4 1.0 O B:THR177 4.5 21.8 1.0 C B:ARG179 4.7 21.8 1.0 N B:ARG178 4.9 18.8 1.0

Chlorine binding site 2 out of 2 in the Receptor For Advanced Glycation End Products VC1 Domain in Complex with Fragments 1 & 11


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 Fragments 1 & 11 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:28.8 occ:1.00 O B:HOH442 2.9 29.8 1.0 N B:GLU59 3.2 19.1 1.0 CA B:THR58 3.7 18.6 1.0 CB B:THR58 3.9 19.4 1.0 O B:GLU59 3.9 22.0 1.0 C B:THR58 4.0 18.9 1.0 CA B:GLU59 4.1 19.5 1.0 CB B:GLU59 4.2 21.8 1.0 CB B:LYS62 4.2 20.4 1.0 C B:GLU59 4.4 19.7 1.0 CD B:LYS62 4.5 28.2 1.0 CG2 B:THR58 4.6 19.7 1.0 O B:ARG57 4.8 23.6 1.0 CA B:LYS62 4.9 21.5 1.0 CG B:LYS62 4.9 25.3 1.0 O B:TRP61 4.9 22.9 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.