Chlorine in PDB 8ue9: Structure of Trek-1CG*:CAT335

The structure of Structure of Trek-1CG*:CAT335, PDB code: 8ue9 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)	46.62 / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.069, 119.776, 129.708, 90, 90, 90
R / Rfree (%)	26.8 / 30.6

The structure of Structure of Trek-1CG*:CAT335 also contains other interesting chemical elements:

Potassium	(K)	5 atoms
Cadmium	(Cd)	1 atom

The binding sites of Chlorine atom in the Structure of Trek-1CG*:CAT335 (pdb code 8ue9). 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*:CAT335, PDB code: 8ue9:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of Trek-1CG*:CAT335


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*:CAT335 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:121.1 occ:1.00 CL1 A:WUU603 0.0 121.1 1.0 C11 A:WUU603 1.8 142.1 1.0 C10 A:WUU603 2.7 110.9 1.0 C12 A:WUU603 2.8 131.1 1.0 OG1 A:THR141 3.9 91.7 1.0 C A:GLY137 3.9 101.6 1.0 CG2 A:ILE278 4.0 86.8 1.0 O A:GLY137 4.0 92.9 1.0 C9 A:WUU603 4.0 111.6 1.0 C13 A:WUU603 4.1 124.8 1.0 N A:THR138 4.1 98.8 1.0 CD1 A:ILE278 4.2 84.0 1.0 CG2 A:THR141 4.2 109.1 1.0 CG1 A:ILE278 4.3 90.1 1.0 CA A:GLY137 4.3 101.9 1.0 CD1 A:ILE143 4.4 88.9 1.0 CZ3 A:TRP275 4.4 114.5 1.0 CA A:THR138 4.5 87.0 1.0 CH2 A:TRP275 4.5 122.1 1.0 C8 A:WUU603 4.6 136.3 1.0 CB A:THR141 4.6 91.8 1.0 CB A:ILE278 4.6 89.2 1.0 CG2 A:THR138 4.7 84.8 1.0 CE3 A:TRP275 4.9 115.5 1.0

Chlorine binding site 2 out of 4 in the Structure of Trek-1CG*:CAT335


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*:CAT335 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:139.1 occ:1.00 CL2 A:WUU603 0.0 139.1 1.0 C13 A:WUU603 1.8 124.8 1.0 C8 A:WUU603 2.8 136.3 1.0 C12 A:WUU603 2.8 131.1 1.0 C14 A:WUU603 3.0 119.7 1.0 N1 A:WUU603 3.3 109.8 1.0 O A:ALA259 3.5 126.3 1.0 CZ A:PHE244 3.9 97.5 1.0 N A:ALA259 4.0 122.9 1.0 C9 A:WUU603 4.0 111.6 1.0 C11 A:WUU603 4.0 142.1 1.0 CB A:ALA259 4.1 109.6 1.0 CE1 A:PHE134 4.1 105.0 1.0 CE2 A:PHE145 4.3 100.4 1.0 CG1 A:VAL274 4.3 101.5 1.0 C A:ALA259 4.4 118.2 1.0 CG1 A:VAL258 4.4 102.6 1.0 CA A:ALA259 4.4 114.1 1.0 CE1 A:PHE244 4.5 101.4 1.0 C10 A:WUU603 4.6 110.9 1.0 C7 A:WUU603 4.7 90.1 1.0 CZ A:PHE145 4.7 89.2 1.0 CD1 A:PHE134 4.8 96.2 1.0 CD1 A:ILE278 4.8 84.0 1.0 CE2 A:PHE244 4.9 101.4 1.0 C A:VAL258 4.9 115.3 1.0 CZ A:PHE134 4.9 100.5 1.0

Chlorine binding site 3 out of 4 in the Structure of Trek-1CG*:CAT335


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*:CAT335 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:108.6 occ:1.00 CL1 B:WUU404 0.0 108.6 1.0 C11 B:WUU404 1.8 109.1 1.0 C10 B:WUU404 2.8 107.7 1.0 C12 B:WUU404 2.8 108.3 1.0 C B:GLY137 3.6 97.9 1.0 OG1 B:THR141 3.7 92.8 1.0 O B:GLY137 3.7 97.7 1.0 N B:THR138 3.8 84.1 1.0 C13 B:WUU404 4.0 122.2 1.0 C9 B:WUU404 4.0 99.7 1.0 CA B:GLY137 4.1 98.1 1.0 CA B:THR138 4.2 100.9 1.0 CG2 B:THR141 4.2 99.0 1.0 CG2 B:ILE278 4.3 80.0 1.0 CG2 B:THR138 4.3 92.3 1.0 CB B:THR141 4.5 88.1 1.0 CD1 B:ILE143 4.5 99.9 1.0 C8 B:WUU404 4.5 132.0 1.0 CH2 B:TRP275 4.6 115.0 1.0 CZ3 B:TRP275 4.6 126.4 1.0 CD1 B:ILE278 4.7 93.6 1.0 O B:PHE134 4.8 99.0 1.0 CG1 B:ILE278 4.8 95.3 1.0 CB B:THR138 4.9 105.7 1.0

Chlorine binding site 4 out of 4 in the Structure of Trek-1CG*:CAT335


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*:CAT335 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:123.2 occ:1.00 CL2 B:WUU404 0.0 123.2 1.0 C13 B:WUU404 1.8 122.2 1.0 C8 B:WUU404 2.7 132.0 1.0 C12 B:WUU404 2.8 108.3 1.0 C14 B:WUU404 3.0 122.8 1.0 N1 B:WUU404 3.3 128.3 1.0 O B:ALA259 3.7 134.5 1.0 CZ B:PHE244 3.8 125.9 1.0 CE2 B:PHE145 3.9 98.6 1.0 N B:ALA259 3.9 122.4 1.0 CB B:ALA259 4.0 129.6 1.0 C9 B:WUU404 4.0 99.7 1.0 C11 B:WUU404 4.0 109.1 1.0 CE1 B:PHE134 4.1 124.5 1.0 CE1 B:PHE244 4.3 130.4 1.0 CA B:ALA259 4.4 138.2 1.0 CZ B:PHE145 4.4 95.8 1.0 C B:ALA259 4.5 129.8 1.0 CG1 B:VAL258 4.5 118.6 1.0 C10 B:WUU404 4.6 107.7 1.0 CG1 B:VAL274 4.6 98.8 1.0 C7 B:WUU404 4.7 132.5 1.0 CD1 B:ILE278 4.8 93.6 1.0 CD2 B:PHE145 4.8 105.5 1.0 CD1 B:PHE134 4.8 120.2 1.0 CE2 B:PHE244 4.9 123.9 1.0 C B:VAL258 4.9 115.0 1.0 CZ B:PHE134 4.9 110.7 1.0

A.Mondal, H.Lee, D.L.Minor. Structure of Trek-1(S131C Mutant) with ML335 To Be Published.