Chlorine in PDB 6cq8: K2P2.1(Trek-1):ML335 Complex

The structure of K2P2.1(Trek-1):ML335 Complex, PDB code: 6cq8 was solved by M.Lolicato, D.L.Minor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.95 / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.074, 119.386, 128.179, 90.00, 90.00, 90.00
R / Rfree (%)	25.7 / 27.7

The structure of K2P2.1(Trek-1):ML335 Complex also contains other interesting chemical elements:

Potassium	(K)	6 atoms
Cadmium	(Cd)	3 atoms

The binding sites of Chlorine atom in the K2P2.1(Trek-1):ML335 Complex (pdb code 6cq8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the K2P2.1(Trek-1):ML335 Complex, PDB code: 6cq8:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the K2P2.1(Trek-1):ML335 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of K2P2.1(Trek-1):ML335 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:65.6 occ:1.00 CL1 A:Q6F406 0.0 65.6 1.0 C18 A:Q6F406 1.8 85.6 1.0 C21 A:Q6F406 2.7 85.7 1.0 C12 A:Q6F406 2.8 80.6 1.0 C09 A:Q6F406 3.1 69.2 1.0 N07 A:Q6F406 3.3 64.9 1.0 O A:ALA259 3.4 86.0 1.0 CE1 A:PHE134 3.7 74.2 1.0 C23 A:Q6F406 4.0 78.2 1.0 CE2 A:PHE145 4.0 59.8 1.0 C19 A:Q6F406 4.0 75.4 1.0 CG1 A:VAL274 4.1 87.2 1.0 CB A:ALA259 4.2 61.1 1.0 N A:ALA259 4.2 75.2 1.0 CD1 A:ILE278 4.2 62.0 1.0 C A:ALA259 4.3 77.3 1.0 CZ A:PHE244 4.4 57.8 1.0 CZ A:PHE145 4.4 48.1 1.0 CA A:ALA259 4.5 66.9 1.0 CD1 A:PHE134 4.5 73.3 1.0 CG1 A:VAL258 4.5 75.0 1.0 C22 A:Q6F406 4.5 82.3 1.0 C13 A:Q6F406 4.5 60.9 1.0 CZ A:PHE134 4.6 69.9 1.0 C14 A:Q6F406 4.7 70.0 1.0 CD2 A:PHE145 4.9 54.9 1.0

Chlorine binding site 2 out of 4 in the K2P2.1(Trek-1):ML335 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of K2P2.1(Trek-1):ML335 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:76.2 occ:1.00 CL2 A:Q6F406 0.0 76.2 1.0 C23 A:Q6F406 1.7 78.2 1.0 C21 A:Q6F406 2.7 85.7 1.0 C22 A:Q6F406 2.7 82.3 1.0 C A:GLY137 3.5 68.1 1.0 O A:GLY137 3.6 65.9 1.0 N A:THR138 3.8 66.8 1.0 CD1 A:ILE278 3.8 62.0 1.0 OG1 A:THR141 3.8 60.3 1.0 CA A:GLY137 3.8 76.8 1.0 C18 A:Q6F406 4.0 85.6 1.0 C19 A:Q6F406 4.0 75.4 1.0 CA A:THR138 4.2 64.2 1.0 CG2 A:THR138 4.3 62.4 1.0 CZ3 A:TRP275 4.4 74.7 1.0 CG2 A:THR141 4.4 57.6 1.0 CD1 A:ILE143 4.4 55.3 1.0 CH2 A:TRP275 4.5 77.5 1.0 CG2 A:ILE278 4.6 55.9 1.0 C12 A:Q6F406 4.6 80.6 1.0 O A:PHE134 4.7 73.6 1.0 CB A:THR141 4.7 61.8 1.0 CE3 A:TRP275 4.8 72.2 1.0 CB A:THR138 4.9 63.5 1.0 CG1 A:ILE278 5.0 59.4 1.0 CZ2 A:TRP275 5.0 78.6 1.0

Chlorine binding site 3 out of 4 in the K2P2.1(Trek-1):ML335 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of K2P2.1(Trek-1):ML335 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl410 b:65.9 occ:1.00 CL1 B:Q6F410 0.0 65.9 1.0 C18 B:Q6F410 1.8 82.6 1.0 C21 B:Q6F410 2.7 65.9 1.0 C12 B:Q6F410 2.7 65.4 1.0 C09 B:Q6F410 3.1 59.5 1.0 N07 B:Q6F410 3.4 68.9 1.0 O B:ALA259 3.8 69.4 1.0 CE1 B:PHE134 3.9 74.9 1.0 CD1 B:ILE278 4.0 62.9 1.0 CG1 B:VAL274 4.0 69.5 1.0 C19 B:Q6F410 4.0 59.1 1.0 C23 B:Q6F410 4.0 61.0 1.0 CB B:ALA259 4.1 73.0 1.0 CZ B:PHE244 4.3 70.6 1.0 CE2 B:PHE145 4.3 75.1 1.0 N B:ALA259 4.3 80.4 1.0 CD1 B:PHE134 4.5 73.4 1.0 C22 B:Q6F410 4.5 57.2 1.0 CA B:ALA259 4.6 76.2 1.0 C B:ALA259 4.6 76.1 1.0 CZ B:PHE145 4.6 62.5 1.0 CG1 B:VAL258 4.6 76.7 1.0 C13 B:Q6F410 4.7 80.0 1.0 CZ B:PHE134 4.9 79.2 1.0 CG1 B:ILE278 5.0 67.8 1.0

Chlorine binding site 4 out of 4 in the K2P2.1(Trek-1):ML335 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of K2P2.1(Trek-1):ML335 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl410 b:70.6 occ:1.00 CL2 B:Q6F410 0.0 70.6 1.0 C23 B:Q6F410 1.8 61.0 1.0 C22 B:Q6F410 2.7 57.2 1.0 C21 B:Q6F410 2.7 65.9 1.0 C B:GLY137 3.3 75.1 1.0 O B:GLY137 3.4 80.5 1.0 N B:THR138 3.5 67.5 1.0 CA B:GLY137 3.7 62.9 1.0 OG1 B:THR141 3.8 56.8 1.0 CA B:THR138 4.0 68.1 1.0 C19 B:Q6F410 4.0 59.1 1.0 C18 B:Q6F410 4.0 82.6 1.0 CG2 B:THR138 4.1 64.7 1.0 CD1 B:ILE278 4.1 62.9 1.0 CD1 B:ILE143 4.2 53.3 1.0 CG2 B:ILE278 4.4 62.4 1.0 CG2 B:THR141 4.5 55.2 1.0 O B:PHE134 4.5 71.5 1.0 CZ3 B:TRP275 4.6 67.3 1.0 C12 B:Q6F410 4.6 65.4 1.0 CB B:THR138 4.7 67.7 1.0 CH2 B:TRP275 4.7 69.8 1.0 CB B:THR141 4.7 56.6 1.0 N B:GLY137 4.9 67.4 1.0

M.Lolicato, C.Arrigoni, T.Mori, Y.Sekioka, C.Bryant, K.A.Clark, D.L.Minor. K2P2.1 (Trek-1)-Activator Complexes Reveal A Cryptic Selectivity Filter Binding Site. Nature V. 547 364 2017.
ISSN: ESSN 1476-4687
PubMed: 28693035
DOI: 10.1038/NATURE22988