Chlorine in PDB 8ue2: Structure of Trek-1CG*:ML335

The structure of Structure of Trek-1CG*:ML335, PDB code: 8ue2 was solved by A.Mondal, H.Lee, D.L.Minor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.53 / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.929, 119.655, 128.652, 90, 90, 90
R / Rfree (%)	26.6 / 29.2

The structure of Structure of Trek-1CG*:ML335 also contains other interesting chemical elements:

Cadmium	(Cd)	4 atoms
Potassium	(K)	6 atoms

The binding sites of Chlorine atom in the Structure of Trek-1CG*:ML335 (pdb code 8ue2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Trek-1CG*:ML335, PDB code: 8ue2:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of Trek-1CG*:ML335


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Trek-1CG*:ML335 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl410 b:137.8 occ:1.00 CL1 A:Q6F410 0.0 137.8 1.0 C18 A:Q6F410 1.8 121.2 1.0 C21 A:Q6F410 2.7 114.2 1.0 C12 A:Q6F410 2.7 112.5 1.0 C09 A:Q6F410 3.1 99.8 1.0 N07 A:Q6F410 3.1 91.5 1.0 O A:ALA259 3.2 119.6 1.0 N A:ALA259 4.0 99.4 1.0 CB A:ALA259 4.0 102.1 1.0 CE1 A:PHE134 4.0 103.1 1.0 C19 A:Q6F410 4.0 100.5 1.0 C23 A:Q6F410 4.0 114.2 1.0 CG1 A:VAL258 4.1 102.5 1.0 C A:ALA259 4.1 117.0 1.0 CA A:ALA259 4.2 110.2 1.0 C13 A:Q6F410 4.2 104.1 1.0 CE2 A:PHE145 4.2 79.8 1.0 CD1 A:PHE134 4.3 94.8 1.0 CG1 A:VAL274 4.4 93.4 1.0 C22 A:Q6F410 4.5 101.7 1.0 C15 A:Q6F410 4.6 106.6 1.0 CZ A:PHE244 4.6 88.5 1.0 CZ A:PHE145 4.8 71.1 1.0 C A:VAL258 4.9 108.1 1.0 CD1 A:ILE278 4.9 90.0 1.0 C10 A:Q6F410 4.9 108.5 1.0

Chlorine binding site 2 out of 4 in the Structure of Trek-1CG*:ML335


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Trek-1CG*:ML335 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl410 b:99.1 occ:1.00 CL2 A:Q6F410 0.0 99.1 1.0 C23 A:Q6F410 1.8 114.2 1.0 C22 A:Q6F410 2.7 101.7 1.0 C21 A:Q6F410 2.7 114.2 1.0 C A:GLY137 3.7 88.6 1.0 CD1 A:ILE278 3.7 90.0 1.0 O A:GLY137 3.8 75.9 1.0 N A:THR138 3.8 91.7 1.0 OG1 A:THR141 4.0 65.1 1.0 C19 A:Q6F410 4.0 100.5 1.0 C18 A:Q6F410 4.0 121.2 1.0 CD1 A:ILE143 4.1 69.2 1.0 CA A:GLY137 4.1 98.3 1.0 CA A:THR138 4.2 89.7 1.0 CG2 A:THR138 4.3 108.8 1.0 CH2 A:TRP275 4.5 116.0 1.0 CZ3 A:TRP275 4.5 101.4 1.0 CG2 A:THR141 4.5 76.7 1.0 CG2 A:ILE278 4.5 91.8 1.0 C12 A:Q6F410 4.6 112.5 1.0 O A:PHE134 4.7 92.0 1.0 CB A:THR141 4.8 76.0 1.0 CB A:THR138 4.9 93.4 1.0 CZ2 A:TRP275 4.9 115.0 1.0

Chlorine binding site 3 out of 4 in the Structure of Trek-1CG*:ML335


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Trek-1CG*:ML335 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl413 b:87.9 occ:1.00 CL1 B:Q6F413 0.0 87.9 1.0 C18 B:Q6F413 1.8 99.2 1.0 C21 B:Q6F413 2.7 83.7 1.0 C12 B:Q6F413 2.7 89.7 1.0 C09 B:Q6F413 3.0 91.2 1.0 N07 B:Q6F413 3.1 91.0 1.0 O B:ALA259 3.4 84.8 1.0 CE1 B:PHE134 3.7 92.3 1.0 C19 B:Q6F413 4.0 76.0 1.0 C23 B:Q6F413 4.0 89.3 1.0 CE2 B:PHE145 4.0 75.7 1.0 N B:ALA259 4.1 87.8 1.0 CB B:ALA259 4.1 84.2 1.0 CD1 B:ILE278 4.2 82.3 1.0 C13 B:Q6F413 4.2 103.0 1.0 CG1 B:VAL258 4.3 85.9 1.0 C B:ALA259 4.3 80.0 1.0 CD1 B:PHE134 4.3 81.5 1.0 CA B:ALA259 4.4 87.7 1.0 CG1 B:VAL274 4.4 87.4 1.0 CZ B:PHE244 4.4 71.9 1.0 C22 B:Q6F413 4.5 81.6 1.0 CZ B:PHE145 4.6 75.2 1.0 C15 B:Q6F413 4.7 107.0 1.0 CZ B:PHE134 4.7 87.9 1.0 CD2 B:PHE145 4.9 85.3 1.0 C10 B:Q6F413 4.9 107.8 1.0 C B:VAL258 5.0 82.8 1.0

Chlorine binding site 4 out of 4 in the Structure of Trek-1CG*:ML335


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Trek-1CG*:ML335 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl413 b:82.5 occ:1.00 CL2 B:Q6F413 0.0 82.5 1.0 C23 B:Q6F413 1.8 89.3 1.0 C22 B:Q6F413 2.7 81.6 1.0 C21 B:Q6F413 2.7 83.7 1.0 C B:GLY137 3.3 74.6 1.0 N B:THR138 3.4 81.0 1.0 O B:GLY137 3.5 68.5 1.0 CA B:GLY137 3.8 66.4 1.0 CA B:THR138 3.8 68.7 1.0 CG2 B:THR138 4.0 66.3 1.0 OG1 B:THR141 4.0 68.2 1.0 C19 B:Q6F413 4.0 76.0 1.0 C18 B:Q6F413 4.0 99.2 1.0 CD1 B:ILE278 4.3 82.3 1.0 CZ3 B:TRP275 4.3 90.6 1.0 CH2 B:TRP275 4.4 82.6 1.0 O B:PHE134 4.4 73.3 1.0 CG2 B:THR141 4.5 63.7 1.0 CD1 B:ILE143 4.5 71.2 1.0 CB B:THR138 4.6 70.6 1.0 C12 B:Q6F413 4.6 89.7 1.0 CG2 B:ILE278 4.7 71.4 1.0 CE3 B:TRP275 4.9 93.7 1.0 CB B:THR141 4.9 65.3 1.0 CD1 B:PHE134 5.0 81.5 1.0 CZ2 B:TRP275 5.0 84.1 1.0

A.Mondal, H.Lee, D.L.Minor. Structure of Trek-1CG*:ML335 To Be Published.