Chlorine in PDB 6tl9: Crystal Structure of Lectin-Like Ox-Ldl Receptor 1 in Complex with Bi- 0115

The structure of Crystal Structure of Lectin-Like Ox-Ldl Receptor 1 in Complex with Bi- 0115, PDB code: 6tl9 was solved by H.Nar, D.Fiegen, G.Schnapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.00 / 2.73
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	150.816, 62.211, 116.331, 90.00, 93.99, 90.00
R / Rfree (%)	22.2 / 24.6

The binding sites of Chlorine atom in the Crystal Structure of Lectin-Like Ox-Ldl Receptor 1 in Complex with Bi- 0115 (pdb code 6tl9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Lectin-Like Ox-Ldl Receptor 1 in Complex with Bi- 0115, PDB code: 6tl9:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Lectin-Like Ox-Ldl Receptor 1 in Complex with Bi- 0115


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Lectin-Like Ox-Ldl Receptor 1 in Complex with Bi- 0115 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:33.8 occ:1.00 CL1 B:NJT302 0.0 33.8 1.0 C18 B:NJT302 1.7 33.9 1.0 C15 B:NJT302 2.7 34.2 1.0 C19 B:NJT302 2.7 33.5 1.0 CD1 C:TYR245 3.5 28.6 1.0 CG C:TYR245 3.6 28.4 1.0 CE1 C:TYR245 3.8 29.0 1.0 CH2 C:TRP203 3.9 30.7 1.0 CD2 C:TYR245 3.9 28.3 1.0 CG C:GLU254 3.9 50.2 1.0 C10 B:NJT302 4.0 34.4 1.0 C16 B:NJT302 4.0 33.6 1.0 CZ2 C:TRP203 4.0 30.6 1.0 CZ C:TYR245 4.1 29.7 1.0 CB C:PRO201 4.1 36.0 1.0 CB C:ALA260 4.1 36.4 1.0 CB C:TYR245 4.1 30.4 1.0 CE2 C:TYR245 4.2 28.8 1.0 CB C:GLU254 4.2 44.9 1.0 CZ3 C:TRP203 4.2 30.8 1.0 CG C:PRO201 4.4 36.5 1.0 C12 B:NJT302 4.5 34.3 1.0 CE2 C:TRP203 4.5 30.4 1.0 CB C:LEU258 4.6 37.0 1.0 CD1 C:LEU258 4.6 36.6 1.0 CE3 C:TRP203 4.7 30.2 1.0 CD2 C:TRP203 4.9 30.0 1.0 OH C:TYR245 4.9 31.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Lectin-Like Ox-Ldl Receptor 1 in Complex with Bi- 0115


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Lectin-Like Ox-Ldl Receptor 1 in Complex with Bi- 0115 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:34.5 occ:1.00 CL1 B:NJT303 0.0 34.5 1.0 C18 B:NJT303 1.7 34.9 1.0 C15 B:NJT303 2.7 34.9 1.0 C19 B:NJT303 2.7 35.0 1.0 CD1 B:TYR245 3.4 54.5 1.0 CG B:TYR245 3.6 53.5 1.0 CE1 B:TYR245 3.6 54.9 1.0 CH2 B:TRP203 3.7 49.4 1.0 CD2 B:TYR245 3.8 53.8 1.0 CZ2 B:TRP203 3.8 49.4 1.0 CZ B:TYR245 3.9 55.0 1.0 CB B:PRO201 3.9 41.4 1.0 CB B:ALA260 3.9 40.9 1.0 CE2 B:TYR245 4.0 54.4 1.0 C10 B:NJT303 4.0 35.0 1.0 C16 B:NJT303 4.0 35.1 1.0 CZ3 B:TRP203 4.1 49.3 1.0 CG B:PRO201 4.2 41.4 1.0 CB B:TYR245 4.2 53.4 1.0 CE2 B:TRP203 4.2 48.9 1.0 CG B:GLU254 4.2 60.4 1.0 CB B:GLU254 4.4 53.5 1.0 C12 B:NJT303 4.5 35.2 1.0 CE3 B:TRP203 4.6 48.5 1.0 CD2 B:TRP203 4.6 48.1 1.0 OH B:TYR245 4.7 55.6 1.0 CB B:LEU258 4.8 43.9 1.0 NE1 B:TRP203 5.0 49.1 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Lectin-Like Ox-Ldl Receptor 1 in Complex with Bi- 0115


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Lectin-Like Ox-Ldl Receptor 1 in Complex with Bi- 0115 within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl301 b:35.6 occ:1.00 CL1 F:NJT301 0.0 35.6 1.0 C18 F:NJT301 1.7 34.8 1.0 C15 F:NJT301 2.7 34.6 1.0 C19 F:NJT301 2.7 34.0 1.0 CD1 G:TYR245 3.5 50.1 1.0 CH2 G:TRP203 3.7 39.8 1.0 CE1 G:TYR245 3.8 50.9 1.0 CG G:TYR245 3.8 49.6 1.0 CB G:ALA260 3.8 45.5 1.0 CZ2 G:TRP203 3.8 39.6 1.0 C16 F:NJT301 4.0 33.9 1.0 C10 F:NJT301 4.0 34.1 1.0 CB G:PRO201 4.0 39.2 1.0 CG G:GLU254 4.0 58.4 1.0 CZ3 G:TRP203 4.1 39.8 1.0 CB G:GLU254 4.2 52.1 1.0 CD2 G:TYR245 4.2 50.6 1.0 CZ G:TYR245 4.3 52.1 1.0 CB G:TYR245 4.3 49.3 1.0 CE2 G:TRP203 4.3 39.0 1.0 CE2 G:TYR245 4.5 51.4 1.0 CG G:PRO201 4.5 39.3 1.0 C12 F:NJT301 4.5 34.0 1.0 CE3 G:TRP203 4.6 39.0 1.0 CB G:LEU258 4.6 47.7 1.0 CD2 G:TRP203 4.7 38.4 1.0 CD1 G:LEU258 4.9 48.1 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Lectin-Like Ox-Ldl Receptor 1 in Complex with Bi- 0115


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Lectin-Like Ox-Ldl Receptor 1 in Complex with Bi- 0115 within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl302 b:38.7 occ:1.00 CL1 F:NJT302 0.0 38.7 1.0 C18 F:NJT302 1.7 38.3 1.0 C15 F:NJT302 2.7 38.5 1.0 C19 F:NJT302 2.7 37.8 1.0 CD1 F:TYR245 3.4 36.1 1.0 CE1 F:TYR245 3.5 37.0 1.0 CH2 F:TRP203 3.7 38.8 1.0 CG F:GLU254 3.7 50.9 1.0 CG F:TYR245 3.8 35.4 1.0 CZ F:TYR245 3.8 37.6 1.0 CZ3 F:TRP203 3.9 38.4 1.0 CB F:GLU254 3.9 45.3 1.0 C16 F:NJT302 4.0 37.8 1.0 C10 F:NJT302 4.0 38.5 1.0 CZ2 F:TRP203 4.0 38.9 1.0 CB F:ALA260 4.0 51.4 1.0 CD2 F:TYR245 4.0 35.4 1.0 CE2 F:TYR245 4.1 36.0 1.0 CB F:PRO201 4.1 37.2 1.0 CB F:TYR245 4.4 36.3 1.0 CE3 F:TRP203 4.4 37.8 1.0 CG F:PRO201 4.5 37.4 1.0 C12 F:NJT302 4.5 38.3 1.0 CE2 F:TRP203 4.5 38.5 1.0 OH F:TYR245 4.5 39.8 1.0 CB F:LEU258 4.6 50.1 1.0 CD1 F:LEU258 4.6 51.8 1.0 CD2 F:TRP203 4.7 37.9 1.0

H.Nar, D.Fiegen, G.Schnapp. A Small-Molecule Inhibitor of Lectin-Like Oxidized Ldl Receptor-1 Acts By Stabilizing An Inactive Receptor Tetramer State Commun Chem 2020.
ISSN: ESSN 2399-3669
DOI: 10.1038/S42004-020-0321-2