Chlorine in PDB 6v37: K2P2.1(Trek-1)I110D:Rur:ML335 Bound Channel Structure

The structure of K2P2.1(Trek-1)I110D:Rur:ML335 Bound Channel Structure, PDB code: 6v37 was solved by L.Pope, M.Lolicato, D.L.Minor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.99 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.018, 118.735, 129.036, 90.00, 90.00, 90.00
R / Rfree (%)	27.2 / 31.7

The structure of K2P2.1(Trek-1)I110D:Rur:ML335 Bound Channel Structure also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the K2P2.1(Trek-1)I110D:Rur:ML335 Bound Channel Structure (pdb code 6v37). 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)I110D:Rur:ML335 Bound Channel Structure, PDB code: 6v37:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the K2P2.1(Trek-1)I110D:Rur:ML335 Bound Channel Structure


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)I110D:Rur:ML335 Bound Channel Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:0.7 occ:1.00 CL1 A:Q6F406 0.0 0.7 1.0 C18 A:Q6F406 1.8 0.6 1.0 C21 A:Q6F406 2.8 0.1 1.0 C12 A:Q6F406 2.8 0.0 1.0 C09 A:Q6F406 3.2 0.7 1.0 CB A:ALA259 3.4 0.2 1.0 N07 A:Q6F406 3.5 0.2 1.0 N A:ALA259 3.7 0.6 1.0 CZ A:PHE244 3.9 0.4 1.0 CA A:ALA259 4.0 0.0 1.0 C23 A:Q6F406 4.0 0.2 1.0 C19 A:Q6F406 4.1 0.3 1.0 CG1 A:VAL274 4.1 0.6 1.0 CE2 A:PHE145 4.1 0.6 1.0 CG1 A:VAL258 4.4 0.4 1.0 CD1 A:ILE278 4.4 0.8 1.0 C A:ALA259 4.4 0.7 1.0 CZ A:PHE145 4.5 91.8 1.0 C22 A:Q6F406 4.6 0.8 1.0 N A:GLY260 4.7 0.2 1.0 CE1 A:PHE244 4.7 92.5 1.0 CE2 A:PHE244 4.8 93.9 1.0 CE1 A:PHE134 4.8 0.4 1.0 C A:VAL258 4.8 0.4 1.0 C13 A:Q6F406 4.9 0.3 1.0 CD2 A:PHE145 4.9 94.9 1.0 CZ A:PHE134 5.0 0.1 1.0

Chlorine binding site 2 out of 4 in the K2P2.1(Trek-1)I110D:Rur:ML335 Bound Channel Structure


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)I110D:Rur:ML335 Bound Channel Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:0.5 occ:1.00 CL2 A:Q6F406 0.0 0.5 1.0 C23 A:Q6F406 1.8 0.2 1.0 C21 A:Q6F406 2.7 0.1 1.0 C22 A:Q6F406 2.8 0.8 1.0 CD1 A:ILE278 3.7 0.8 1.0 C A:GLY137 3.7 0.7 1.0 CG2 A:THR138 3.7 0.5 1.0 N A:THR138 3.7 0.2 1.0 OG1 A:THR141 3.8 0.5 1.0 O A:GLY137 3.9 0.9 1.0 CD1 A:ILE143 4.0 92.0 1.0 C18 A:Q6F406 4.0 0.6 1.0 CA A:THR138 4.1 1.0 1.0 C19 A:Q6F406 4.1 0.3 1.0 CD1 A:PHE134 4.2 0.9 1.0 CA A:GLY137 4.3 0.0 1.0 CE1 A:PHE134 4.4 0.4 1.0 CG2 A:THR141 4.5 98.4 1.0 CB A:THR138 4.5 0.2 1.0 C12 A:Q6F406 4.5 0.0 1.0 CG2 A:ILE278 4.6 0.2 1.0 CE2 A:PHE145 4.7 0.6 1.0 CB A:THR141 4.7 0.5 1.0 O A:PHE134 4.8 0.3 1.0 CB A:ILE143 4.8 0.3 1.0 CG1 A:ILE278 4.9 0.2 1.0 CG1 A:ILE143 4.9 0.5 1.0

Chlorine binding site 3 out of 4 in the K2P2.1(Trek-1)I110D:Rur:ML335 Bound Channel Structure


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)I110D:Rur:ML335 Bound Channel Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl904 b:0.6 occ:1.00 CL1 B:Q6F904 0.0 0.6 1.0 C18 B:Q6F904 1.8 0.8 1.0 C12 B:Q6F904 2.7 0.5 1.0 C21 B:Q6F904 2.8 0.2 1.0 C09 B:Q6F904 3.1 0.5 1.0 N07 B:Q6F904 3.5 0.7 1.0 CB B:ALA259 3.5 0.2 1.0 N B:ALA259 3.7 0.4 1.0 CZ B:PHE244 3.9 0.3 1.0 CE1 B:PHE134 3.9 0.2 0.5 CE2 B:PHE134 3.9 0.8 0.5 CE2 B:PHE145 3.9 0.4 1.0 C23 B:Q6F904 4.0 0.8 1.0 C19 B:Q6F904 4.0 0.1 1.0 CA B:ALA259 4.2 0.7 1.0 CZ B:PHE145 4.2 0.2 1.0 CG1 B:VAL258 4.2 0.3 1.0 CD1 B:ILE278 4.3 0.9 1.0 CG1 B:VAL274 4.4 0.3 1.0 CD1 B:PHE134 4.5 0.1 0.5 CD2 B:PHE134 4.5 0.1 0.5 C22 B:Q6F904 4.6 0.3 1.0 CE1 B:PHE244 4.6 0.0 1.0 C B:VAL258 4.8 0.8 1.0 CZ B:PHE134 4.8 0.7 0.5 CE2 B:PHE244 4.8 0.3 1.0 CD2 B:PHE145 4.8 0.4 1.0 CZ B:PHE134 4.8 0.7 0.5 C B:ALA259 4.8 1.0 1.0 N B:GLY260 4.8 0.6 1.0 C13 B:Q6F904 4.8 0.2 1.0 CA B:VAL258 5.0 0.6 1.0

Chlorine binding site 4 out of 4 in the K2P2.1(Trek-1)I110D:Rur:ML335 Bound Channel Structure


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)I110D:Rur:ML335 Bound Channel Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl904 b:0.9 occ:1.00 CL2 B:Q6F904 0.0 0.9 1.0 C23 B:Q6F904 1.8 0.8 1.0 C21 B:Q6F904 2.7 0.2 1.0 C22 B:Q6F904 2.8 0.3 1.0 C B:GLY137 3.4 1.0 1.0 O B:GLY137 3.5 0.7 1.0 N B:THR138 3.6 0.1 1.0 CD1 B:ILE278 3.8 0.9 1.0 CA B:GLY137 3.9 0.5 1.0 C18 B:Q6F904 4.0 0.8 1.0 CA B:THR138 4.1 0.5 1.0 OG1 B:THR141 4.1 98.3 1.0 C19 B:Q6F904 4.1 0.1 1.0 CG2 B:THR138 4.1 99.4 1.0 CZ3 B:TRP275 4.3 0.5 1.0 CD1 B:ILE143 4.3 0.2 1.0 O B:PHE134 4.4 0.9 1.0 CG2 B:ILE278 4.5 88.0 1.0 C12 B:Q6F904 4.5 0.5 1.0 CG2 B:THR141 4.5 0.3 1.0 CH2 B:TRP275 4.6 0.5 1.0 CD1 B:PHE134 4.6 0.1 0.5 CD2 B:PHE134 4.6 0.1 0.5 CE1 B:PHE134 4.7 0.2 0.5 CE2 B:PHE134 4.7 0.8 0.5 CB B:THR138 4.8 0.8 1.0 CE3 B:TRP275 4.8 86.1 1.0 CG1 B:ILE278 4.9 0.6 1.0 CB B:THR141 4.9 0.0 1.0

L.Pope, M.Lolicato, D.L.Minor Jr.. Polynuclear Ruthenium Amines Inhibit K2PCHANNELS Via A "Finger in the Dam" Mechanism. Cell Chem Biol 2020.
ISSN: ESSN 2451-9456
PubMed: 32059793
DOI: 10.1016/J.CHEMBIOL.2020.01.011