Chlorine in PDB 6w8c: K2P2.1 (Trek-1):ML335 Complex, 1 Mm K+

The structure of K2P2.1 (Trek-1):ML335 Complex, 1 Mm K+, PDB code: 6w8c 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)	14.97 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.129, 119.783, 128.872, 90, 90, 90
R / Rfree (%)	25.1 / 26.3

The structure of K2P2.1 (Trek-1):ML335 Complex, 1 Mm K+ 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, 1 Mm K+ (pdb code 6w8c). 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, 1 Mm K+, PDB code: 6w8c:
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, 1 Mm K+


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, 1 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl408 b:91.0 occ:1.00 CL1 A:Q6F408 0.0 91.0 1.0 C18 A:Q6F408 1.8 90.9 1.0 C21 A:Q6F408 2.7 91.3 1.0 C12 A:Q6F408 2.8 89.2 1.0 C09 A:Q6F408 3.2 87.0 1.0 N07 A:Q6F408 3.4 84.2 1.0 O A:ALA259 3.4 82.5 1.0 CE2 A:PHE145 3.7 67.4 1.0 CB A:ALA259 3.9 82.2 1.0 CE1 A:PHE134 3.9 75.8 1.0 N A:ALA259 4.0 81.8 1.0 C23 A:Q6F408 4.0 92.0 1.0 C19 A:Q6F408 4.1 89.7 1.0 CZ A:PHE244 4.2 68.7 1.0 CG1 A:VAL274 4.2 100.2 1.0 C A:ALA259 4.2 83.3 1.0 CA A:ALA259 4.2 82.3 1.0 CD1 A:ILE278 4.3 85.3 1.0 CZ A:PHE145 4.3 66.7 1.0 CG1 A:VAL258 4.3 81.9 1.0 CD1 A:PHE134 4.5 75.7 1.0 C22 A:Q6F408 4.5 91.2 1.0 CD2 A:PHE145 4.6 68.0 1.0 C13 A:Q6F408 4.7 82.0 1.0 C A:VAL258 4.8 82.2 1.0 CE1 A:PHE244 4.9 69.9 1.0 C14 A:Q6F408 5.0 83.2 1.0

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


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, 1 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl408 b:92.8 occ:1.00 CL2 A:Q6F408 0.0 92.8 1.0 C23 A:Q6F408 1.8 92.0 1.0 C21 A:Q6F408 2.7 91.3 1.0 C22 A:Q6F408 2.7 91.2 1.0 CD1 A:ILE278 3.6 85.3 1.0 C A:GLY137 3.6 82.0 1.0 O A:GLY137 3.7 81.8 1.0 N A:THR138 3.8 81.5 1.0 CA A:GLY137 4.0 81.9 1.0 C18 A:Q6F408 4.0 90.9 1.0 C19 A:Q6F408 4.0 89.7 1.0 OG1 A:THR141 4.2 75.2 1.0 CD1 A:ILE143 4.2 82.4 1.0 CA A:THR138 4.3 81.2 1.0 CG2 A:THR138 4.4 80.3 1.0 CG2 A:ILE278 4.4 83.6 1.0 CG2 A:THR141 4.4 74.1 1.0 CZ3 A:TRP275 4.5 87.8 1.0 C12 A:Q6F408 4.6 89.2 1.0 CH2 A:TRP275 4.6 87.0 1.0 O A:PHE134 4.6 83.5 1.0 CG1 A:ILE278 4.7 84.0 1.0 CB A:THR141 4.9 74.0 1.0 CE3 A:TRP275 4.9 87.7 1.0 CD1 A:PHE134 5.0 75.7 1.0 CB A:THR138 5.0 81.0 1.0

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


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, 1 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl415 b:81.2 occ:1.00 CL1 B:Q6F415 0.0 81.2 1.0 C18 B:Q6F415 1.8 79.7 1.0 C21 B:Q6F415 2.7 79.7 1.0 C12 B:Q6F415 2.8 81.0 1.0 C09 B:Q6F415 3.1 82.8 1.0 N07 B:Q6F415 3.3 85.6 1.0 O B:ALA259 3.6 92.8 1.0 CE2 B:PHE145 3.9 79.4 1.0 CD1 B:ILE278 3.9 89.7 1.0 C23 B:Q6F415 4.0 79.2 1.0 C19 B:Q6F415 4.1 79.8 1.0 CG1 B:VAL274 4.1 92.2 1.0 CB B:ALA259 4.1 87.5 1.0 N B:ALA259 4.1 86.5 1.0 CE1 B:PHE134 4.1 80.0 1.0 CZ B:PHE244 4.1 81.9 1.0 CZ B:PHE145 4.4 78.4 1.0 C B:ALA259 4.4 92.2 1.0 CA B:ALA259 4.4 88.1 1.0 C22 B:Q6F415 4.5 80.1 1.0 C13 B:Q6F415 4.6 89.2 1.0 CD1 B:PHE134 4.6 79.3 1.0 CG1 B:VAL258 4.6 79.2 1.0 CD2 B:PHE145 4.8 80.0 1.0 CE1 B:PHE244 4.9 82.9 1.0 C B:VAL258 5.0 84.9 1.0

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


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, 1 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl415 b:78.8 occ:1.00 CL2 B:Q6F415 0.0 78.8 1.0 C23 B:Q6F415 1.8 79.2 1.0 C21 B:Q6F415 2.7 79.7 1.0 C22 B:Q6F415 2.7 80.1 1.0 C B:GLY137 3.5 78.6 1.0 O B:GLY137 3.6 78.8 1.0 N B:THR138 3.8 77.6 1.0 CA B:GLY137 3.9 79.3 1.0 C18 B:Q6F415 4.0 79.7 1.0 C19 B:Q6F415 4.1 79.8 1.0 OG1 B:THR141 4.2 70.0 1.0 CD1 B:ILE143 4.3 79.4 1.0 CG2 B:ILE278 4.3 84.8 1.0 CA B:THR138 4.3 76.0 1.0 CG2 B:THR141 4.3 67.8 1.0 CD1 B:ILE278 4.4 89.7 1.0 CG2 B:THR138 4.4 77.0 1.0 CZ3 B:TRP275 4.5 82.7 1.0 CH2 B:TRP275 4.5 82.3 1.0 C12 B:Q6F415 4.6 81.0 1.0 O B:PHE134 4.6 79.8 1.0 CG1 B:ILE278 4.6 87.0 1.0 CB B:THR141 4.9 69.2 1.0 CB B:ILE278 5.0 84.0 1.0 CE3 B:TRP275 5.0 81.6 1.0

M.Lolicato, A.M.Natale, F.Abderemane-Ali, D.Crottes, S.Capponi, R.Duman, A.Wagner, J.M.Rosenberg, M.Grabe, D.L.Minor Jr.. K 2P Channel C-Type Gating Involves Asymmetric Selectivity Filter Order-Disorder Transitions. Sci Adv V. 6 2020.
ISSN: ESSN 2375-2548
PubMed: 33127683
DOI: 10.1126/SCIADV.ABC9174