Chlorine in PDB 6xq3: Receptor For Advanced Glycation End Products VC1 Domain in Complex with 3-(3-(((3-(4-Carboxyphenoxy)Benzyl)Oxy)Methyl)Phenyl)-1H-Indole- 2-Carboxylic Acid

The structure of Receptor For Advanced Glycation End Products VC1 Domain in Complex with 3-(3-(((3-(4-Carboxyphenoxy)Benzyl)Oxy)Methyl)Phenyl)-1H-Indole- 2-Carboxylic Acid, PDB code: 6xq3 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)	40.68 / 1.71
Space group	P 62
Cell size a, b, c (Å), α, β, γ (°)	102.475, 102.475, 101.812, 90, 90, 120
R / Rfree (%)	19.2 / 22

The binding sites of Chlorine atom in the Receptor For Advanced Glycation End Products VC1 Domain in Complex with 3-(3-(((3-(4-Carboxyphenoxy)Benzyl)Oxy)Methyl)Phenyl)-1H-Indole- 2-Carboxylic Acid (pdb code 6xq3). 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-(((3-(4-Carboxyphenoxy)Benzyl)Oxy)Methyl)Phenyl)-1H-Indole- 2-Carboxylic Acid, PDB code: 6xq3:
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-(((3-(4-Carboxyphenoxy)Benzyl)Oxy)Methyl)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-(((3-(4-Carboxyphenoxy)Benzyl)Oxy)Methyl)Phenyl)-1H-Indole- 2-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:25.1 occ:1.00 O A:HOH490 3.2 30.6 1.0 N A:GLU59 3.2 17.3 1.0 CA A:THR58 3.8 16.0 1.0 CB A:THR58 3.9 16.6 1.0 O A:GLU59 4.0 21.5 1.0 C A:THR58 4.0 16.1 1.0 CA A:GLU59 4.1 19.1 1.0 CB A:GLU59 4.1 19.5 1.0 CB A:LYS62 4.4 18.9 1.0 C A:GLU59 4.4 17.4 1.0 CG2 A:THR58 4.5 15.9 1.0 CD A:LYS62 4.6 22.6 1.0 O A:ARG57 4.8 25.1 1.0 CG A:LYS62 4.9 19.0 1.0

Chlorine binding site 2 out of 2 in the Receptor For Advanced Glycation End Products VC1 Domain in Complex with 3-(3-(((3-(4-Carboxyphenoxy)Benzyl)Oxy)Methyl)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-(((3-(4-Carboxyphenoxy)Benzyl)Oxy)Methyl)Phenyl)-1H-Indole- 2-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:24.8 occ:1.00 O B:HOH451 3.1 30.5 1.0 N B:GLU59 3.2 16.7 1.0 O B:HOH486 3.2 31.4 1.0 CA B:THR58 3.8 16.1 1.0 CB B:THR58 3.9 16.7 1.0 O B:GLU59 4.0 22.1 1.0 C B:THR58 4.0 16.4 1.0 CA B:GLU59 4.1 18.7 1.0 CB B:GLU59 4.1 18.9 1.0 CB B:LYS62 4.3 18.9 1.0 C B:GLU59 4.4 17.6 1.0 CG2 B:THR58 4.5 16.0 1.0 CD B:LYS62 4.6 21.7 1.0 O B:ARG57 4.8 25.0 1.0 CG B:LYS62 4.9 19.4 1.0 O B:HOH499 5.0 37.5 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.