Chlorine in PDB 6w86: K2P2.1 (Trek-1):ML335 Complex, 100 Mm K+

The structure of K2P2.1 (Trek-1):ML335 Complex, 100 Mm K+, PDB code: 6w86 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)	14.94 / 3.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.317, 120.133, 129.431, 90, 90, 90
R / Rfree (%)	25 / 28.8

The structure of K2P2.1 (Trek-1):ML335 Complex, 100 Mm K+ also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the K2P2.1 (Trek-1):ML335 Complex, 100 Mm K+ (pdb code 6w86). 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, 100 Mm K+, PDB code: 6w86:
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, 100 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, 100 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:132.4 occ:1.00 CL1 A:Q6F403 0.0 132.4 1.0 C18 A:Q6F403 1.8 133.6 1.0 C21 A:Q6F403 2.7 134.3 1.0 C12 A:Q6F403 2.8 133.0 1.0 C09 A:Q6F403 3.2 131.7 1.0 N07 A:Q6F403 3.4 129.3 1.0 O A:ALA259 3.4 108.0 1.0 CE2 A:PHE145 3.7 85.0 1.0 CB A:ALA259 3.8 112.6 1.0 N A:ALA259 4.0 113.8 1.0 C23 A:Q6F403 4.0 134.9 1.0 C19 A:Q6F403 4.1 133.6 1.0 CE1 A:PHE134 4.1 118.2 1.0 CZ A:PHE244 4.2 99.0 1.0 C A:ALA259 4.2 110.2 1.0 CA A:ALA259 4.2 113.0 1.0 CD1 A:ILE278 4.3 91.0 1.0 CZ A:PHE145 4.3 83.7 1.0 CG1 A:VAL274 4.3 123.9 1.0 CG1 A:VAL258 4.4 123.1 1.0 C22 A:Q6F403 4.5 134.3 1.0 CD2 A:PHE145 4.6 86.3 1.0 C13 A:Q6F403 4.6 127.8 1.0 CD1 A:PHE134 4.7 115.7 1.0 C14 A:Q6F403 4.8 127.1 1.0 CE1 A:PHE244 4.8 100.7 1.0 C A:VAL258 5.0 116.6 1.0

Chlorine binding site 2 out of 4 in the K2P2.1 (Trek-1):ML335 Complex, 100 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, 100 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:137.1 occ:1.00 CL2 A:Q6F403 0.0 137.1 1.0 C23 A:Q6F403 1.7 134.9 1.0 C21 A:Q6F403 2.6 134.3 1.0 C22 A:Q6F403 2.7 134.3 1.0 C A:GLY137 3.7 91.7 1.0 CD1 A:ILE278 3.7 91.0 1.0 O A:GLY137 3.8 89.8 1.0 N A:THR138 3.8 91.8 1.0 C18 A:Q6F403 3.9 133.6 1.0 CD1 A:ILE143 4.0 87.7 1.0 C19 A:Q6F403 4.0 133.6 1.0 OG1 A:THR141 4.1 90.3 1.0 CA A:THR138 4.2 92.1 1.0 CA A:GLY137 4.2 92.7 1.0 CG2 A:THR138 4.2 93.7 1.0 C12 A:Q6F403 4.5 133.0 1.0 CG2 A:THR141 4.5 88.4 1.0 O A:PHE134 4.5 100.0 1.0 CG2 A:ILE278 4.6 90.8 1.0 CE1 A:PHE134 4.8 118.2 1.0 CB A:THR138 4.8 94.7 1.0 CD1 A:PHE134 4.8 115.7 1.0 CZ3 A:TRP275 4.9 131.7 1.0 CH2 A:TRP275 4.9 130.3 1.0 CB A:THR141 4.9 88.5 1.0 CG1 A:ILE278 5.0 90.4 1.0

Chlorine binding site 3 out of 4 in the K2P2.1 (Trek-1):ML335 Complex, 100 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, 100 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:94.5 occ:1.00 CL1 B:Q6F404 0.0 94.5 1.0 C18 B:Q6F404 1.8 97.7 1.0 C21 B:Q6F404 2.7 95.0 1.0 C12 B:Q6F404 2.8 103.9 1.0 C09 B:Q6F404 3.2 110.4 1.0 N07 B:Q6F404 3.4 114.5 1.0 O B:ALA259 3.6 120.5 1.0 CE2 B:PHE145 3.7 100.2 1.0 CB B:ALA259 4.0 116.7 1.0 CD1 B:ILE278 4.0 99.6 1.0 C23 B:Q6F404 4.0 94.2 1.0 C19 B:Q6F404 4.1 102.8 1.0 N B:ALA259 4.1 114.5 1.0 CE1 B:PHE134 4.2 103.0 1.0 CZ B:PHE244 4.2 102.0 1.0 CZ B:PHE145 4.3 99.2 1.0 CG1 B:VAL274 4.3 123.6 1.0 CA B:ALA259 4.4 117.8 1.0 C B:ALA259 4.4 122.9 1.0 CG1 B:VAL258 4.5 107.2 1.0 C13 B:Q6F404 4.5 118.5 1.0 C22 B:Q6F404 4.6 98.8 1.0 CD2 B:PHE145 4.6 100.4 1.0 CD1 B:PHE134 4.7 103.7 1.0 CE1 B:PHE244 4.9 101.2 1.0 C15 B:Q6F404 5.0 130.3 1.0

Chlorine binding site 4 out of 4 in the K2P2.1 (Trek-1):ML335 Complex, 100 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, 100 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:92.5 occ:1.00 CL2 B:Q6F404 0.0 92.5 1.0 C23 B:Q6F404 1.8 94.2 1.0 C21 B:Q6F404 2.7 95.0 1.0 C22 B:Q6F404 2.7 98.8 1.0 C B:GLY137 3.5 100.5 1.0 O B:GLY137 3.6 100.1 1.0 N B:THR138 3.8 99.8 1.0 CD1 B:ILE278 3.9 99.6 1.0 CD1 B:ILE143 3.9 86.0 1.0 OG1 B:THR141 4.0 96.4 1.0 CA B:GLY137 4.0 101.0 1.0 C19 B:Q6F404 4.0 102.8 1.0 C18 B:Q6F404 4.0 97.7 1.0 CA B:THR138 4.2 99.4 1.0 CG2 B:THR141 4.2 92.0 1.0 CG2 B:ILE278 4.4 99.0 1.0 CG2 B:THR138 4.5 97.5 1.0 C12 B:Q6F404 4.6 103.9 1.0 O B:PHE134 4.6 97.8 1.0 CZ3 B:TRP275 4.7 100.7 1.0 CB B:THR141 4.7 93.6 1.0 CH2 B:TRP275 4.7 99.7 1.0 CG1 B:ILE278 4.9 99.6 1.0 CB B:THR138 4.9 98.2 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