Chlorine in PDB 8slr: Crystal Structure of Mouse Trail

The structure of Crystal Structure of Mouse Trail, PDB code: 8slr was solved by L.C.Pedersen, D.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.43 / 2.40
Space group	P 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	147.35, 147.35, 147.35, 90, 90, 90
R / Rfree (%)	16 / 18.3

The structure of Crystal Structure of Mouse Trail also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Mouse Trail (pdb code 8slr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Mouse Trail, PDB code: 8slr:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Mouse Trail


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 Mouse Trail within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl302 b:41.9 occ:0.33 ZN D:ZN301 2.4 42.1 0.3 HB2 D:CYS234 3.0 54.4 1.0 HA D:CYS234 3.2 55.8 1.0 CB D:CYS234 3.6 45.1 1.0 SG D:CYS234 3.8 42.0 1.0 CA D:CYS234 3.8 46.2 1.0 N D:CYS234 4.4 42.9 1.0 HB3 D:CYS234 4.5 54.4 1.0 H D:CYS234 4.5 51.8 1.0 H D:TRP235 4.7 55.7 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Mouse Trail


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 Mouse Trail within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl303 b:73.2 occ:1.00 H D:GLN209 2.3 52.6 1.0 HD21 D:ASN266 2.5 58.9 1.0 HA D:LYS208 2.8 62.7 1.0 N D:GLN209 3.1 43.6 1.0 ND2 D:ASN266 3.3 48.8 1.0 HB2 D:GLN209 3.5 56.2 1.0 HG3 D:GLN209 3.5 68.8 1.0 CA D:LYS208 3.6 52.0 1.0 HD22 D:ASN266 3.8 58.9 1.0 C D:LYS208 3.9 49.5 1.0 O D:THR207 4.0 59.5 1.0 CB D:GLN209 4.1 46.5 1.0 CA D:GLN209 4.1 45.2 1.0 HB3 D:LYS208 4.1 69.9 1.0 O D:GLN209 4.2 40.3 1.0 CG D:ASN266 4.2 47.0 1.0 OD1 D:ASN266 4.2 53.4 1.0 CG D:GLN209 4.2 57.0 1.0 HG2 D:LYS208 4.3 72.0 1.0 CB D:LYS208 4.4 58.0 1.0 C D:GLN209 4.6 41.3 1.0 N D:LYS208 4.7 56.4 1.0 C D:THR207 4.8 57.6 1.0 CG D:LYS208 4.8 59.8 1.0 HA D:GLN209 4.9 54.5 1.0 HG2 D:GLN209 4.9 68.8 1.0 HG3 D:LYS208 4.9 72.0 1.0 HO1 D:EDO306 5.0 70.3 1.0 HB3 D:GLN209 5.0 56.2 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Mouse Trail


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 Mouse Trail within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl304 b:83.9 occ:1.00 O D:MET270 3.3 82.1 1.0 O D:ARG195 3.4 51.6 1.0 HH22 D:ARG195 3.5 88.4 1.0 NH2 D:ARG195 3.6 73.4 1.0 HB2 D:ASP271 3.7 66.8 1.0 HH21 D:ARG195 3.8 88.4 1.0 HA D:LEU269 3.8 58.9 1.0 O D:LEU269 3.8 47.5 1.0 HA D:ASP271 3.8 60.1 1.0 C D:MET270 4.0 55.1 1.0 HB3 D:ARG195 4.0 62.6 1.0 C D:LEU269 4.1 47.4 1.0 CZ D:ARG195 4.1 74.1 1.0 O D:HIS268 4.1 48.6 1.0 HH12 D:ARG195 4.3 84.6 1.0 CA D:ASP271 4.4 49.8 1.0 N D:ASP271 4.4 47.3 1.0 NH1 D:ARG195 4.4 70.2 1.0 CA D:LEU269 4.4 48.8 1.0 CB D:ASP271 4.4 55.4 1.0 H D:ARG195 4.5 51.7 1.0 C D:ARG195 4.6 53.3 1.0 N D:MET270 4.6 50.2 1.0 NE D:ARG195 4.7 65.8 1.0 HE D:ARG195 4.8 79.2 1.0 CB D:ARG195 4.9 51.9 1.0 CG D:ASP271 4.9 53.7 1.0 CA D:MET270 4.9 53.9 1.0 HG2 D:ARG195 4.9 68.8 1.0 HA D:PHE196 5.0 60.5 1.0 HH11 D:ARG195 5.0 84.6 1.0

Y.Luo, H.Hao, Z.Wang, C.Y.Ong, R.Dutcher, Y.Xu, J.Liu, L.C.Pedersen, D.Xu. Heparan Sulfate Promotes Trail-Induced Tumor Cell Apoptosis. Elife V. 12 2024.
ISSN: ESSN 2050-084X
PubMed: 38265424
DOI: 10.7554/ELIFE.90192