Chlorine in PDB 8uf6: Structure of Trek-1(K2P2.1) with ML336

The structure of Structure of Trek-1(K2P2.1) with ML336, PDB code: 8uf6 was solved by M.Lolicato, A.Mondal, D.L.Minor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.90 / 2.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.953, 118.597, 130.873, 90, 90, 90
R / Rfree (%)	26.7 / 31.3

The structure of Structure of Trek-1(K2P2.1) with ML336 also contains other interesting chemical elements:

Cadmium	(Cd)	2 atoms
Potassium	(K)	6 atoms

The binding sites of Chlorine atom in the Structure of Trek-1(K2P2.1) with ML336 (pdb code 8uf6). 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-1(K2P2.1) with ML336, PDB code: 8uf6:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of Trek-1(K2P2.1) with ML336


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-1(K2P2.1) with ML336 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:87.8 occ:1.00 CL21 A:WRZ401 0.0 87.8 1.0 C03 A:WRZ401 1.8 102.9 1.0 C02 A:WRZ401 2.7 82.6 1.0 C04 A:WRZ401 2.8 87.9 1.0 C A:GLY137 3.5 83.3 1.0 N A:THR138 3.6 75.5 1.0 O A:GLY137 3.8 69.2 1.0 OG1 A:THR141 3.9 58.9 1.0 CA A:THR138 4.0 83.8 1.0 CG2 A:THR138 4.0 80.0 1.0 C01 A:WRZ401 4.0 72.2 1.0 CA A:GLY137 4.0 76.2 1.0 C05 A:WRZ401 4.0 71.7 1.0 CD1 A:ILE143 4.1 50.2 1.0 CD1 A:ILE278 4.2 57.3 1.0 CG2 A:ILE278 4.4 73.1 1.0 O A:PHE134 4.4 81.3 1.0 CG2 A:THR141 4.4 79.9 1.0 C06 A:WRZ401 4.5 77.1 1.0 CB A:THR138 4.6 90.7 1.0 CG1 A:ILE278 4.7 53.8 1.0 CB A:THR141 4.8 76.5 1.0 CD1 A:PHE134 4.8 76.1 1.0 CH2 A:TRP275 4.8 100.8 1.0 CE2 A:PHE145 4.9 68.2 1.0 CE1 A:PHE134 4.9 87.8 1.0 CZ3 A:TRP275 4.9 96.5 1.0

Chlorine binding site 2 out of 4 in the Structure of Trek-1(K2P2.1) with ML336


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-1(K2P2.1) with ML336 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:91.0 occ:1.00 CL22 A:WRZ401 0.0 91.0 1.0 C01 A:WRZ401 1.8 72.2 1.0 C02 A:WRZ401 2.7 82.6 1.0 C06 A:WRZ401 2.8 77.1 1.0 N08 A:WRZ401 3.0 87.2 1.0 C07 A:WRZ401 3.0 94.7 1.0 CB A:ALA259 3.6 82.3 1.0 N A:ALA259 3.7 87.5 1.0 CE2 A:PHE145 3.9 68.2 1.0 CZ A:PHE244 3.9 68.7 1.0 CE1 A:PHE134 4.0 87.8 1.0 C03 A:WRZ401 4.0 102.9 1.0 C05 A:WRZ401 4.1 71.7 1.0 CA A:ALA259 4.1 73.0 1.0 CG1 A:VAL258 4.2 75.8 1.0 CZ A:PHE145 4.3 59.7 1.0 C09 A:WRZ401 4.3 87.8 1.0 CD1 A:PHE134 4.5 76.1 1.0 C11 A:WRZ401 4.5 79.7 1.0 C04 A:WRZ401 4.6 87.9 1.0 CE1 A:PHE244 4.6 77.0 1.0 C A:VAL258 4.7 87.9 1.0 N A:GLY260 4.7 104.9 1.0 C A:ALA259 4.7 106.0 1.0 CD2 A:PHE145 4.8 79.9 1.0 CD1 A:ILE278 4.9 57.3 1.0 CE2 A:PHE244 4.9 81.7 1.0 CA A:VAL258 4.9 96.0 1.0 C10 A:WRZ401 5.0 90.4 1.0 CZ A:PHE134 5.0 94.3 1.0

Chlorine binding site 3 out of 4 in the Structure of Trek-1(K2P2.1) with ML336


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-1(K2P2.1) with ML336 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:83.0 occ:1.00 CL21 B:WRZ401 0.0 83.0 1.0 C03 B:WRZ401 1.8 78.6 1.0 C04 B:WRZ401 2.7 95.6 1.0 C02 B:WRZ401 2.8 76.1 1.0 C B:GLY137 3.2 79.7 1.0 N B:THR138 3.3 77.3 1.0 O B:GLY137 3.5 80.9 1.0 CA B:GLY137 3.7 88.4 1.0 CA B:THR138 3.8 87.1 1.0 OG1 B:THR141 3.8 77.0 1.0 CG2 B:THR138 3.8 71.4 1.0 C05 B:WRZ401 4.0 92.0 1.0 C01 B:WRZ401 4.0 86.7 1.0 O B:PHE134 4.1 76.1 1.0 CD1 B:ILE278 4.2 86.2 1.0 CG2 B:THR141 4.3 66.0 1.0 CD1 B:ILE143 4.4 77.9 1.0 CB B:THR138 4.5 88.3 1.0 C06 B:WRZ401 4.5 84.0 1.0 CH2 B:TRP275 4.6 88.7 1.0 CZ3 B:TRP275 4.7 85.0 1.0 CB B:THR141 4.7 70.4 1.0 CG2 B:ILE278 4.7 72.5 1.0 CD1 B:PHE134 4.8 89.7 1.0 N B:GLY137 4.8 76.0 1.0

Chlorine binding site 4 out of 4 in the Structure of Trek-1(K2P2.1) with ML336


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-1(K2P2.1) with ML336 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:78.9 occ:1.00 CL22 B:WRZ401 0.0 78.9 1.0 C01 B:WRZ401 1.8 86.7 1.0 C06 B:WRZ401 2.7 84.0 1.0 C02 B:WRZ401 2.8 76.1 1.0 N08 B:WRZ401 2.8 96.3 1.0 C07 B:WRZ401 2.9 97.5 1.0 CB B:ALA259 3.6 89.4 1.0 CE1 B:PHE134 3.8 77.7 1.0 N B:ALA259 3.9 90.2 1.0 CE2 B:PHE145 3.9 67.4 1.0 C05 B:WRZ401 4.0 92.0 1.0 C03 B:WRZ401 4.1 78.6 1.0 C09 B:WRZ401 4.1 102.3 1.0 CZ B:PHE244 4.2 84.8 1.0 CA B:ALA259 4.2 90.0 1.0 CD1 B:PHE134 4.3 89.7 1.0 CG1 B:VAL258 4.3 81.1 1.0 CD1 B:ILE278 4.3 86.2 1.0 C11 B:WRZ401 4.4 100.7 1.0 CZ B:PHE145 4.4 58.1 1.0 C04 B:WRZ401 4.6 95.6 1.0 CG1 B:VAL274 4.6 81.5 1.0 N B:GLY260 4.7 99.1 1.0 CD2 B:PHE145 4.7 70.8 1.0 C B:ALA259 4.7 93.0 1.0 C10 B:WRZ401 4.8 103.8 1.0 CE1 B:PHE244 4.9 92.5 1.0 CZ B:PHE134 4.9 91.5 1.0 O20 B:WRZ401 4.9 108.5 1.0 C B:VAL258 4.9 84.9 1.0

M.Lolicato, A.Mondal, D.L.Minor. Structure of Trek-1(K2P2.1) with ML336 To Be Published.