Chlorine in PDB 7lml: 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: 7lml 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)	40.70 / 2.15
Space group	P 62
Cell size a, b, c (Å), α, β, γ (°)	102.478, 102.478, 102.158, 90, 90, 120
R / Rfree (%)	21.2 / 23.5

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 also contains other interesting chemical elements:

Iodine

(I)

8 atoms

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 7lml). 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: 7lml:
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:31.9 occ:1.00 O A:HOH420 2.8 27.0 1.0 N A:GLU59 3.0 22.3 1.0 CA A:THR58 3.6 18.9 1.0 CB A:THR58 3.8 20.9 1.0 C A:THR58 3.8 16.2 1.0 CA A:GLU59 4.0 25.5 1.0 O A:GLU59 4.0 21.3 1.0 CB A:GLU59 4.0 24.9 1.0 C A:GLU59 4.3 25.5 1.0 CB A:LYS62 4.4 19.5 1.0 O A:HOH453 4.4 36.9 1.0 CG2 A:THR58 4.5 16.6 1.0 CD A:LYS62 4.6 24.7 1.0 O A:ARG57 4.7 18.7 1.0 N A:THR58 4.9 15.2 1.0 CG A:LYS62 4.9 23.4 1.0 OG1 A:THR58 5.0 15.8 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:Cl304 b:32.6 occ:1.00 O B:HOH415 2.8 26.7 1.0 N B:GLU59 3.0 23.2 1.0 CA B:THR58 3.6 18.8 1.0 C B:THR58 3.8 17.4 1.0 CB B:THR58 3.8 21.4 1.0 CA B:GLU59 3.9 27.7 1.0 CB B:GLU59 3.9 23.0 1.0 O B:GLU59 3.9 22.8 1.0 C B:GLU59 4.2 23.5 1.0 CD B:LYS62 4.3 27.0 1.0 CB B:LYS62 4.4 22.3 1.0 CG2 B:THR58 4.6 15.5 1.0 O B:ARG57 4.7 18.5 1.0 N B:THR58 4.9 15.4 1.0 CG B:LYS62 4.9 22.6 1.0 O B:THR58 5.0 16.3 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 Receptor For Advanced Glycation End Products Inhibitors. Proteins V. 89 1399 2021.
ISSN: ESSN 1097-0134
PubMed: 34156100
DOI: 10.1002/PROT.26162