Chlorine in PDB 6w87: K2P2.1 (Trek-1):ML335 Complex, 50 Mm K+

The structure of K2P2.1 (Trek-1):ML335 Complex, 50 Mm K+, PDB code: 6w87 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)	14.95 / 3.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.944, 119.48, 128.393, 90, 90, 90
R / Rfree (%)	24.6 / 29.6

The structure of K2P2.1 (Trek-1):ML335 Complex, 50 Mm K+ also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the K2P2.1 (Trek-1):ML335 Complex, 50 Mm K+ (pdb code 6w87). 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, 50 Mm K+, PDB code: 6w87:
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, 50 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, 50 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:107.6 occ:1.00 CL1 A:Q6F403 0.0 107.6 1.0 C18 A:Q6F403 1.8 108.3 1.0 C21 A:Q6F403 2.7 108.5 1.0 C12 A:Q6F403 2.8 108.8 1.0 C09 A:Q6F403 3.3 109.3 1.0 O A:ALA259 3.4 106.6 1.0 N07 A:Q6F403 3.5 109.4 1.0 CE2 A:PHE145 3.7 86.3 1.0 CE1 A:PHE134 3.8 104.3 1.0 C23 A:Q6F403 4.0 109.1 1.0 C19 A:Q6F403 4.1 109.1 1.0 N A:ALA259 4.1 107.6 1.0 CZ A:PHE244 4.1 100.8 1.0 CZ A:PHE145 4.2 85.5 1.0 CD1 A:ILE278 4.2 91.8 1.0 CG1 A:VAL258 4.2 105.7 1.0 CB A:ALA259 4.3 109.1 1.0 CG1 A:VAL274 4.3 128.8 1.0 C A:ALA259 4.4 108.3 1.0 CD1 A:PHE134 4.4 102.8 1.0 CA A:ALA259 4.5 108.7 1.0 C22 A:Q6F403 4.5 108.8 1.0 CD2 A:PHE145 4.6 86.6 1.0 C13 A:Q6F403 4.7 109.4 1.0 C14 A:Q6F403 4.7 112.7 1.0 CE1 A:PHE244 4.8 102.0 1.0 CZ A:PHE134 4.8 104.1 1.0 C A:VAL258 4.9 107.2 1.0

Chlorine binding site 2 out of 4 in the K2P2.1 (Trek-1):ML335 Complex, 50 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, 50 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:109.8 occ:1.00 CL2 A:Q6F403 0.0 109.8 1.0 C23 A:Q6F403 1.8 109.1 1.0 C21 A:Q6F403 2.7 108.5 1.0 C22 A:Q6F403 2.7 108.8 1.0 C A:GLY137 3.4 90.8 1.0 O A:GLY137 3.5 90.2 1.0 N A:THR138 3.7 91.1 1.0 CD1 A:ILE278 3.7 91.8 1.0 OG1 A:THR141 3.8 90.1 1.0 CA A:GLY137 3.8 90.8 1.0 CD1 A:ILE143 3.8 100.8 1.0 C18 A:Q6F403 4.0 108.3 1.0 C19 A:Q6F403 4.0 109.1 1.0 CA A:THR138 4.1 92.1 1.0 CG2 A:THR138 4.3 94.4 1.0 CG2 A:THR141 4.4 88.5 1.0 O A:PHE134 4.5 104.0 1.0 C12 A:Q6F403 4.5 108.8 1.0 CG2 A:ILE278 4.6 92.7 1.0 CB A:THR141 4.6 89.8 1.0 CZ3 A:TRP275 4.7 107.1 1.0 CH2 A:TRP275 4.8 106.0 1.0 CB A:THR138 4.9 93.8 1.0 CG1 A:ILE278 4.9 92.0 1.0 CG1 A:ILE143 4.9 100.2 1.0 CD1 A:PHE134 5.0 102.8 1.0

Chlorine binding site 3 out of 4 in the K2P2.1 (Trek-1):ML335 Complex, 50 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, 50 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:96.6 occ:1.00 CL1 B:Q6F404 0.0 96.6 1.0 C18 B:Q6F404 1.8 97.5 1.0 C21 B:Q6F404 2.8 96.7 1.0 C12 B:Q6F404 2.8 99.9 1.0 C09 B:Q6F404 3.1 102.8 1.0 N07 B:Q6F404 3.3 103.9 1.0 O B:ALA259 3.5 108.6 1.0 CE2 B:PHE145 3.8 83.6 1.0 CE1 B:PHE134 4.0 98.2 1.0 C19 B:Q6F404 4.1 99.1 1.0 C23 B:Q6F404 4.1 97.0 1.0 CZ B:PHE244 4.1 92.5 1.0 N B:ALA259 4.1 101.0 1.0 CD1 B:ILE278 4.2 102.0 1.0 CG1 B:VAL274 4.2 120.9 1.0 CB B:ALA259 4.2 102.5 1.0 CZ B:PHE145 4.3 81.8 1.0 C B:ALA259 4.4 109.4 1.0 CG1 B:VAL258 4.4 94.0 1.0 CA B:ALA259 4.5 103.8 1.0 CD1 B:PHE134 4.5 98.6 1.0 C22 B:Q6F404 4.6 97.9 1.0 C13 B:Q6F404 4.6 105.6 1.0 CD2 B:PHE145 4.7 85.0 1.0 CE1 B:PHE244 4.8 93.1 1.0

Chlorine binding site 4 out of 4 in the K2P2.1 (Trek-1):ML335 Complex, 50 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, 50 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:96.2 occ:1.00 CL2 B:Q6F404 0.0 96.2 1.0 C23 B:Q6F404 1.8 97.0 1.0 C22 B:Q6F404 2.7 97.9 1.0 C21 B:Q6F404 2.8 96.7 1.0 C B:GLY137 3.3 93.4 1.0 O B:GLY137 3.4 93.3 1.0 N B:THR138 3.6 92.1 1.0 CA B:GLY137 3.7 94.5 1.0 OG1 B:THR141 3.7 86.7 1.0 CD1 B:ILE278 3.8 102.0 1.0 CD1 B:ILE143 3.9 96.9 1.0 C19 B:Q6F404 4.0 99.1 1.0 C18 B:Q6F404 4.1 97.5 1.0 CA B:THR138 4.1 91.1 1.0 CG2 B:THR141 4.3 84.6 1.0 CG2 B:THR138 4.4 93.2 1.0 O B:PHE134 4.5 99.3 1.0 CG2 B:ILE278 4.5 99.3 1.0 CB B:THR141 4.6 86.0 1.0 C12 B:Q6F404 4.6 99.9 1.0 CZ3 B:TRP275 4.7 97.8 1.0 CH2 B:TRP275 4.8 97.2 1.0 CB B:THR138 4.9 91.7 1.0 CG1 B:ILE143 5.0 96.0 1.0 N B:GLY137 5.0 95.5 1.0 CG1 B:ILE278 5.0 100.8 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