Chlorine in PDB 5z15: Crystal Structure of Human TLR8 in Complex with Cu-CPT9C

The structure of Crystal Structure of Human TLR8 in Complex with Cu-CPT9C, PDB code: 5z15 was solved by H.Tanji, U.Ohto, T.Shimizu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	131.85 / 2.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	143.892, 98.747, 139.476, 90.00, 109.04, 90.00
R / Rfree (%)	20.2 / 28.9

The binding sites of Chlorine atom in the Crystal Structure of Human TLR8 in Complex with Cu-CPT9C (pdb code 5z15). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human TLR8 in Complex with Cu-CPT9C, PDB code: 5z15:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human TLR8 in Complex with Cu-CPT9C


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 Human TLR8 in Complex with Cu-CPT9C within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:77.3 occ:1.00 CL A:7VL901 0.0 77.3 1.0 C15 A:7VL901 1.8 58.9 1.0 C13 A:7VL901 2.7 60.2 1.0 C14 A:7VL901 2.8 53.1 1.0 N A:VAL520 3.5 75.5 1.0 NE2 A:GLN519 3.6 75.9 1.0 CD A:GLN519 3.7 71.3 1.0 CE B:LYS350 3.8 94.8 1.0 CG2 A:VAL520 3.9 65.1 1.0 OE1 A:GLN519 3.9 65.2 1.0 CE1 B:PHE261 3.9 0.5 1.0 CB A:VAL520 3.9 68.1 1.0 C12 A:7VL901 4.0 55.8 1.0 C1 A:7VL901 4.1 53.6 1.0 O A:VAL520 4.2 76.6 1.0 CA A:VAL520 4.2 73.8 1.0 NZ B:LYS350 4.2 94.7 1.0 CA A:GLN519 4.3 68.5 1.0 C A:GLN519 4.4 70.5 1.0 CG A:GLN519 4.5 72.0 1.0 C A:7VL901 4.6 54.3 1.0 CZ B:PHE261 4.6 0.2 1.0 C A:VAL520 4.6 74.5 1.0 CD1 B:PHE261 4.8 0.6 1.0 CB B:LYS350 4.9 85.1 1.0 O A:ALA518 4.9 77.6 1.0 CB A:GLN519 5.0 72.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human TLR8 in Complex with Cu-CPT9C


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 Human TLR8 in Complex with Cu-CPT9C within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl917 b:79.3 occ:1.00 CL A:7VL917 0.0 79.3 1.0 C15 A:7VL917 1.8 61.0 1.0 C14 A:7VL917 2.7 55.9 1.0 C13 A:7VL917 2.8 65.2 1.0 N B:VAL520 3.4 74.7 1.0 CB B:VAL520 3.7 71.3 1.0 CG2 B:VAL520 3.7 75.0 1.0 CZ A:PHE261 3.7 0.6 1.0 NE2 B:GLN519 3.7 79.6 1.0 CD B:GLN519 3.7 69.0 1.0 CE A:LYS350 3.8 86.6 1.0 OE1 B:GLN519 3.8 71.9 1.0 CE1 A:PHE261 3.9 0.5 1.0 C1 A:7VL917 4.0 57.1 1.0 C12 A:7VL917 4.1 57.5 1.0 CA B:VAL520 4.1 72.7 1.0 O B:VAL520 4.2 76.5 1.0 CA B:GLN519 4.3 65.3 1.0 C B:GLN519 4.4 69.0 1.0 CG B:GLN519 4.5 67.8 1.0 C A:7VL917 4.6 55.4 1.0 C B:VAL520 4.6 76.0 1.0 CD A:LYS350 4.7 84.4 1.0 NZ A:LYS350 4.9 91.4 1.0 CB A:LYS350 4.9 69.9 1.0 CE2 A:PHE261 4.9 0.9 1.0 CB B:GLN519 5.0 72.2 1.0 CG1 B:VAL520 5.0 72.2 1.0

Z.Hu, S.Zhang, H.Tanji, S.Jiang, J.Li, K.Sakaniwa, J.Jin, Y.Bian, U.Ohto, T.Shimizu, H.Yin. Inhibition of Toll-Like Receptor 8 By Specifically Targeting A Unique Allosteric Site and Locking Its Resting State To Be Published.