Chlorine in PDB 6xq1: Receptor For Advanced Glycation End Products VC1 Domain in Complex with 3-(3-((4-(4-Carboxyphenoxy)Benzyl)Oxy)Phenyl)-1H-Indole-2- Carboxylic Acid

The structure of Receptor For Advanced Glycation End Products VC1 Domain in Complex with 3-(3-((4-(4-Carboxyphenoxy)Benzyl)Oxy)Phenyl)-1H-Indole-2- Carboxylic Acid, PDB code: 6xq1 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)	33.45 / 1.51
Space group	P 62
Cell size a, b, c (Å), α, β, γ (°)	102.18, 102.18, 102.407, 90, 90, 120
R / Rfree (%)	17.2 / 19.7

The binding sites of Chlorine atom in the Receptor For Advanced Glycation End Products VC1 Domain in Complex with 3-(3-((4-(4-Carboxyphenoxy)Benzyl)Oxy)Phenyl)-1H-Indole-2- Carboxylic Acid (pdb code 6xq1). 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 3-(3-((4-(4-Carboxyphenoxy)Benzyl)Oxy)Phenyl)-1H-Indole-2- Carboxylic Acid, PDB code: 6xq1:
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 3-(3-((4-(4-Carboxyphenoxy)Benzyl)Oxy)Phenyl)-1H-Indole-2- Carboxylic Acid


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 3-(3-((4-(4-Carboxyphenoxy)Benzyl)Oxy)Phenyl)-1H-Indole-2- Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:22.0 occ:1.00 O A:HOH432 3.2 27.0 1.0 N A:GLU59 3.2 16.9 1.0 CA A:THR58 3.8 16.2 1.0 CB A:THR58 3.9 14.9 1.0 C A:THR58 4.0 16.8 1.0 O A:GLU59 4.0 21.3 1.0 CA A:GLU59 4.2 18.8 1.0 CB A:GLU59 4.2 19.9 1.0 CB A:LYS62 4.3 18.8 1.0 C A:GLU59 4.5 19.5 1.0 CG2 A:THR58 4.5 16.0 1.0 CD A:LYS62 4.5 22.0 1.0 O A:ARG57 4.8 21.2 1.0 CG A:LYS62 4.9 20.7 1.0 CA A:LYS62 5.0 17.5 1.0 O A:TRP61 5.0 20.6 1.0

Chlorine binding site 2 out of 2 in the Receptor For Advanced Glycation End Products VC1 Domain in Complex with 3-(3-((4-(4-Carboxyphenoxy)Benzyl)Oxy)Phenyl)-1H-Indole-2- Carboxylic Acid


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 3-(3-((4-(4-Carboxyphenoxy)Benzyl)Oxy)Phenyl)-1H-Indole-2- Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:21.9 occ:1.00 O B:HOH432 3.2 26.9 1.0 N B:GLU59 3.2 16.9 1.0 CA B:THR58 3.8 16.0 1.0 CB B:THR58 4.0 15.6 1.0 C B:THR58 4.0 17.4 1.0 O B:GLU59 4.0 21.2 1.0 CA B:GLU59 4.2 18.5 1.0 CB B:GLU59 4.2 21.0 1.0 CB B:LYS62 4.3 19.6 1.0 C B:GLU59 4.5 19.6 1.0 CG2 B:THR58 4.5 17.0 1.0 CD B:LYS62 4.6 22.2 1.0 O B:ARG57 4.8 21.2 1.0 CG B:LYS62 4.9 19.6 1.0 CA B:LYS62 4.9 17.7 1.0 O B:TRP61 5.0 20.4 0.6

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.