Chlorine in PDB 8uec: Structure of Trek-1CG*:CAT335A

The structure of Structure of Trek-1CG*:CAT335A, PDB code: 8uec 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)	29.35 / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.213, 120.568, 128.613, 90, 90, 90
R / Rfree (%)	27.3 / 29.3

The structure of Structure of Trek-1CG*:CAT335A also contains other interesting chemical elements:

Potassium	(K)	5 atoms
Cadmium	(Cd)	3 atoms

The binding sites of Chlorine atom in the Structure of Trek-1CG*:CAT335A (pdb code 8uec). 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*:CAT335A, PDB code: 8uec:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of Trek-1CG*:CAT335A


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*:CAT335A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:104.7 occ:1.00 CL1 A:WUZ405 0.0 104.7 1.0 C11 A:WUZ405 1.8 120.5 1.0 C10 A:WUZ405 2.8 110.0 1.0 C12 A:WUZ405 2.8 114.2 1.0 C A:GLY137 4.0 99.9 1.0 OG1 A:THR141 4.0 74.3 1.0 C9 A:WUZ405 4.0 96.8 1.0 C13 A:WUZ405 4.0 98.5 1.0 CG2 A:ILE278 4.1 102.5 1.0 O A:GLY137 4.1 98.4 1.0 CG1 A:ILE278 4.2 89.3 1.0 CG2 A:THR141 4.3 100.0 1.0 N A:THR138 4.3 101.9 1.0 CD1 A:ILE143 4.3 67.9 1.0 CA A:GLY137 4.3 105.1 1.0 CZ3 A:TRP275 4.3 108.4 1.0 CH2 A:TRP275 4.4 112.8 1.0 CD1 A:ILE278 4.5 93.3 1.0 C8 A:WUZ405 4.5 106.9 1.0 CA A:THR138 4.7 88.2 1.0 CB A:ILE278 4.7 92.2 1.0 CB A:THR141 4.7 89.3 1.0 CE3 A:TRP275 4.8 116.1 1.0 O A:PHE134 4.8 83.1 1.0 CZ2 A:TRP275 4.9 112.7 1.0 CG2 A:THR138 4.9 79.2 1.0

Chlorine binding site 2 out of 4 in the Structure of Trek-1CG*:CAT335A


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*:CAT335A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:95.8 occ:1.00 CL2 A:WUZ405 0.0 95.8 1.0 C13 A:WUZ405 1.8 98.5 1.0 C12 A:WUZ405 2.8 114.2 1.0 C8 A:WUZ405 2.8 106.9 1.0 C14 A:WUZ405 3.1 109.2 1.0 N1 A:WUZ405 3.2 88.7 1.0 O A:ALA259 3.5 102.0 1.0 CB A:ALA259 3.9 92.5 1.0 N A:ALA259 4.0 91.3 1.0 C11 A:WUZ405 4.0 120.5 1.0 C9 A:WUZ405 4.1 96.8 1.0 CZ A:PHE244 4.1 80.4 1.0 CG1 A:VAL274 4.2 109.5 1.0 CE2 A:PHE145 4.2 80.2 1.0 CA A:ALA259 4.3 97.8 1.0 C A:ALA259 4.3 110.6 1.0 C7 A:WUZ405 4.4 95.6 1.0 CE1 A:PHE134 4.4 87.3 1.0 C10 A:WUZ405 4.6 110.0 1.0 CG1 A:VAL258 4.6 92.7 1.0 CE1 A:PHE244 4.7 74.3 1.0 CZ A:PHE145 4.7 74.1 1.0 CD1 A:PHE134 4.9 96.5 1.0 C4 A:WUZ405 4.9 89.2 1.0

Chlorine binding site 3 out of 4 in the Structure of Trek-1CG*:CAT335A


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*:CAT335A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:99.2 occ:1.00 CL1 B:WUZ405 0.0 99.2 1.0 C11 B:WUZ405 1.8 95.0 1.0 C12 B:WUZ405 2.8 91.8 1.0 C10 B:WUZ405 2.8 101.0 1.0 C B:GLY137 3.7 90.8 1.0 O B:GLY137 3.8 86.3 1.0 N B:THR138 4.0 90.1 1.0 C13 B:WUZ405 4.0 107.7 1.0 C9 B:WUZ405 4.0 102.9 1.0 OG1 B:THR141 4.1 85.2 1.0 CA B:GLY137 4.2 90.3 1.0 CG2 B:ILE278 4.2 90.0 1.0 CA B:THR138 4.3 84.8 1.0 CD1 B:ILE143 4.3 87.2 1.0 CG2 B:THR141 4.4 85.0 1.0 CG1 B:ILE278 4.4 93.6 1.0 CH2 B:TRP275 4.4 95.8 1.0 CG2 B:THR138 4.4 87.9 1.0 CZ3 B:TRP275 4.5 91.8 1.0 C8 B:WUZ405 4.6 108.3 1.0 CD1 B:ILE278 4.6 92.6 1.0 O B:PHE134 4.7 97.7 1.0 CB B:THR141 4.8 81.2 1.0 CZ2 B:TRP275 4.9 93.6 1.0 CB B:ILE278 4.9 88.4 1.0

Chlorine binding site 4 out of 4 in the Structure of Trek-1CG*:CAT335A


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*:CAT335A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:112.5 occ:1.00 CL2 B:WUZ405 0.0 112.5 1.0 C13 B:WUZ405 1.8 107.7 1.0 C12 B:WUZ405 2.7 91.8 1.0 C8 B:WUZ405 2.8 108.3 1.0 C14 B:WUZ405 3.1 107.0 1.0 N1 B:WUZ405 3.2 111.3 1.0 O B:ALA259 3.4 113.3 1.0 CE2 B:PHE145 3.6 105.4 1.0 CB B:ALA259 3.8 111.1 1.0 N B:ALA259 3.8 116.4 1.0 CZ B:PHE244 3.9 109.0 1.0 C11 B:WUZ405 4.0 95.0 1.0 C9 B:WUZ405 4.1 102.9 1.0 CZ B:PHE145 4.1 100.2 1.0 CA B:ALA259 4.2 116.2 1.0 C B:ALA259 4.2 116.9 1.0 CE1 B:PHE134 4.2 105.4 1.0 CG1 B:VAL258 4.4 116.7 1.0 CG1 B:VAL274 4.4 104.1 1.0 C7 B:WUZ405 4.5 116.0 1.0 CE1 B:PHE244 4.5 106.8 1.0 C10 B:WUZ405 4.6 101.0 1.0 CD1 B:PHE134 4.7 110.3 1.0 CD2 B:PHE145 4.7 105.9 1.0 C B:VAL258 4.8 114.1 1.0 C4 B:WUZ405 5.0 118.4 1.0 CE2 B:PHE244 5.0 109.8 1.0

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