Chlorine in PDB 6w8a: K2P2.1 (Trek-1):ML335 Complex, 10 Mm K+

The structure of K2P2.1 (Trek-1):ML335 Complex, 10 Mm K+, PDB code: 6w8a 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 / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.867, 119.951, 129.245, 90, 90, 90
R / Rfree (%)	25.1 / 26.4

The structure of K2P2.1 (Trek-1):ML335 Complex, 10 Mm K+ also contains other interesting chemical elements:

Cadmium	(Cd)	4 atoms
Potassium	(K)	5 atoms

The binding sites of Chlorine atom in the K2P2.1 (Trek-1):ML335 Complex, 10 Mm K+ (pdb code 6w8a). 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, 10 Mm K+, PDB code: 6w8a:
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, 10 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, 10 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:111.0 occ:1.00 CL1 A:Q6F403 0.0 111.0 1.0 C18 A:Q6F403 1.8 111.1 1.0 C21 A:Q6F403 2.7 111.6 1.0 C12 A:Q6F403 2.8 110.9 1.0 C09 A:Q6F403 3.1 110.1 1.0 N07 A:Q6F403 3.1 109.4 1.0 O A:ALA259 3.3 113.9 1.0 CE1 A:PHE134 3.7 102.4 1.0 CE2 A:PHE145 3.9 89.5 1.0 CB A:ALA259 3.9 113.5 1.0 N A:ALA259 4.0 111.5 1.0 C23 A:Q6F403 4.0 112.1 1.0 C19 A:Q6F403 4.0 111.1 1.0 CG1 A:VAL258 4.1 107.1 1.0 C A:ALA259 4.2 114.6 1.0 C14 A:Q6F403 4.2 113.8 1.0 CA A:ALA259 4.3 112.9 1.0 CD1 A:PHE134 4.3 101.3 1.0 CZ A:PHE244 4.3 102.4 1.0 CG1 A:VAL274 4.3 116.6 1.0 CZ A:PHE145 4.4 88.5 1.0 C13 A:Q6F403 4.4 110.6 1.0 CD1 A:ILE278 4.4 97.6 1.0 C22 A:Q6F403 4.5 111.3 1.0 CZ A:PHE134 4.6 103.0 1.0 CD2 A:PHE145 4.7 90.9 1.0 C10 A:Q6F403 4.9 113.2 1.0 C A:VAL258 4.9 110.7 1.0

Chlorine binding site 2 out of 4 in the K2P2.1 (Trek-1):ML335 Complex, 10 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, 10 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:113.2 occ:1.00 CL2 A:Q6F403 0.0 113.2 1.0 C23 A:Q6F403 1.8 112.1 1.0 C22 A:Q6F403 2.7 111.3 1.0 C21 A:Q6F403 2.7 111.6 1.0 C A:GLY137 3.4 96.5 1.0 N A:THR138 3.6 97.1 1.0 O A:GLY137 3.6 94.7 1.0 CA A:GLY137 3.8 96.6 1.0 OG1 A:THR141 3.9 89.0 1.0 C18 A:Q6F403 4.0 111.1 1.0 C19 A:Q6F403 4.0 111.1 1.0 CA A:THR138 4.1 98.4 1.0 CD1 A:ILE278 4.1 97.6 1.0 CG2 A:THR138 4.1 99.4 1.0 CD1 A:ILE143 4.2 97.2 1.0 O A:PHE134 4.4 106.2 1.0 CG2 A:THR141 4.5 89.3 1.0 C12 A:Q6F403 4.5 110.9 1.0 CH2 A:TRP275 4.6 113.8 1.0 CZ3 A:TRP275 4.6 114.9 1.0 CG2 A:ILE278 4.8 96.7 1.0 CB A:THR138 4.8 99.5 1.0 CB A:THR141 4.8 89.5 1.0 CD1 A:PHE134 4.8 101.3 1.0 CE1 A:PHE134 4.9 102.4 1.0 N A:GLY137 4.9 97.0 1.0

Chlorine binding site 3 out of 4 in the K2P2.1 (Trek-1):ML335 Complex, 10 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, 10 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl409 b:99.5 occ:1.00 CL1 B:Q6F409 0.0 99.5 1.0 C18 B:Q6F409 1.8 101.2 1.0 C21 B:Q6F409 2.7 100.3 1.0 C12 B:Q6F409 2.8 105.2 1.0 C09 B:Q6F409 3.0 108.0 1.0 N07 B:Q6F409 3.2 110.2 1.0 O B:ALA259 3.6 112.6 1.0 CE2 B:PHE145 3.6 100.4 1.0 CE1 B:PHE134 3.7 104.5 1.0 C23 B:Q6F409 4.0 99.7 1.0 C19 B:Q6F409 4.0 103.5 1.0 CZ B:PHE145 4.1 98.4 1.0 N B:ALA259 4.2 106.9 1.0 CB B:ALA259 4.2 107.0 1.0 CD1 B:ILE278 4.2 106.9 1.0 CG1 B:VAL258 4.2 105.7 1.0 CZ B:PHE244 4.2 100.0 1.0 CD1 B:PHE134 4.3 104.0 1.0 C13 B:Q6F409 4.5 113.0 1.0 C B:ALA259 4.5 113.3 1.0 CD2 B:PHE145 4.5 100.4 1.0 CA B:ALA259 4.5 108.5 1.0 C22 B:Q6F409 4.5 101.2 1.0 CG1 B:VAL274 4.6 121.7 1.0 CZ B:PHE134 4.7 103.8 1.0 CE1 B:PHE244 4.9 99.6 1.0

Chlorine binding site 4 out of 4 in the K2P2.1 (Trek-1):ML335 Complex, 10 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, 10 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl409 b:99.8 occ:1.00 CL2 B:Q6F409 0.0 99.8 1.0 C23 B:Q6F409 1.8 99.7 1.0 C22 B:Q6F409 2.7 101.2 1.0 C21 B:Q6F409 2.7 100.3 1.0 C B:GLY137 3.2 90.1 1.0 O B:GLY137 3.5 89.9 1.0 N B:THR138 3.5 88.9 1.0 CA B:GLY137 3.6 91.1 1.0 OG1 B:THR141 3.9 86.6 1.0 C18 B:Q6F409 4.0 101.2 1.0 C19 B:Q6F409 4.0 103.5 1.0 CA B:THR138 4.0 88.1 1.0 CG2 B:THR138 4.2 87.8 1.0 CD1 B:ILE143 4.3 92.3 1.0 O B:PHE134 4.3 99.5 1.0 CD1 B:ILE278 4.3 106.9 1.0 CG2 B:THR141 4.3 85.8 1.0 CH2 B:TRP275 4.5 106.4 1.0 C12 B:Q6F409 4.5 105.2 1.0 CZ3 B:TRP275 4.5 107.5 1.0 CB B:THR141 4.7 85.5 1.0 N B:GLY137 4.8 92.2 1.0 CB B:THR138 4.8 87.8 1.0 CG2 B:ILE278 4.8 105.9 1.0 CZ2 B:TRP275 4.9 105.6 1.0 CD1 B:PHE134 4.9 104.0 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