Chlorine in PDB 6cq9: K2P2.1(Trek-1):ML402 Complex

The structure of K2P2.1(Trek-1):ML402 Complex, PDB code: 6cq9 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)	15.00 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.091, 119.565, 127.215, 90.00, 90.00, 90.00
R / Rfree (%)	26.5 / 30.9

The structure of K2P2.1(Trek-1):ML402 Complex also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the K2P2.1(Trek-1):ML402 Complex (pdb code 6cq9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the K2P2.1(Trek-1):ML402 Complex, PDB code: 6cq9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the K2P2.1(Trek-1):ML402 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):ML402 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:99.8 occ:1.00 CL1 A:Q5F404 0.0 99.8 1.0 C15 A:Q5F404 1.8 0.4 1.0 C14 A:Q5F404 2.8 0.7 1.0 C11 A:Q5F404 2.8 0.6 1.0 N A:THR138 3.3 90.0 1.0 C A:GLY137 3.4 0.6 1.0 O A:GLY137 3.6 88.6 1.0 CA A:THR138 3.6 91.9 1.0 CG2 A:THR138 3.7 85.5 1.0 OG1 A:THR141 3.7 64.7 1.0 CA A:GLY137 4.0 96.0 1.0 CD1 A:ILE143 4.0 68.2 1.0 C10 A:Q5F404 4.1 0.4 1.0 C09 A:Q5F404 4.2 0.1 1.0 CB A:THR138 4.3 91.1 1.0 CD1 A:ILE278 4.4 0.1 1.0 CG2 A:THR141 4.6 79.3 1.0 O A:PHE134 4.6 0.1 1.0 C08 A:Q5F404 4.7 0.8 1.0 CB A:THR141 4.7 83.5 1.0 CG2 A:ILE278 4.8 80.4 1.0 CE1 A:PHE134 4.9 78.9 1.0 CB A:ILE143 4.9 83.1 1.0 C A:THR138 4.9 86.0 1.0 CE2 A:PHE145 4.9 0.2 1.0 CG1 A:ILE143 5.0 92.1 1.0

Chlorine binding site 2 out of 2 in the K2P2.1(Trek-1):ML402 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):ML402 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:92.9 occ:1.00 CL1 B:Q5F404 0.0 92.9 1.0 C15 B:Q5F404 1.8 81.9 1.0 C14 B:Q5F404 2.8 85.5 1.0 C11 B:Q5F404 2.8 81.0 1.0 O B:GLY137 3.1 78.2 1.0 C B:GLY137 3.2 83.6 1.0 OG1 B:THR141 3.3 67.3 1.0 N B:THR138 3.4 92.4 1.0 CA B:THR138 3.7 78.9 1.0 CD1 B:ILE143 3.8 81.1 1.0 CA B:GLY137 3.8 91.5 1.0 CG2 B:THR138 4.0 77.2 1.0 C10 B:Q5F404 4.1 93.0 1.0 CG2 B:THR141 4.1 63.1 1.0 C09 B:Q5F404 4.2 95.2 1.0 CB B:THR141 4.3 82.9 1.0 CG2 B:ILE278 4.3 90.1 1.0 CD1 B:ILE278 4.4 0.1 1.0 CB B:THR138 4.5 89.1 1.0 C08 B:Q5F404 4.7 0.6 1.0 CG1 B:ILE143 4.8 75.1 1.0 O B:PHE134 4.8 0.6 1.0 C B:THR138 4.9 78.1 1.0 CB B:ILE143 5.0 82.2 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