Chlorine in PDB 6w85: K2P2.1 (Trek-1):ML335 Complex, 200 Mm K+

The structure of K2P2.1 (Trek-1):ML335 Complex, 200 Mm K+, PDB code: 6w85 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)	14.98 / 3.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.177, 120.65, 129.795, 90, 90, 90
R / Rfree (%)	24.2 / 29.5

The structure of K2P2.1 (Trek-1):ML335 Complex, 200 Mm K+ also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the K2P2.1 (Trek-1):ML335 Complex, 200 Mm K+ (pdb code 6w85). 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, 200 Mm K+, PDB code: 6w85:
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, 200 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, 200 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:231.6 occ:1.00 CL1 A:Q6F403 0.0 231.6 1.0 C18 A:Q6F403 1.8 203.4 1.0 C12 A:Q6F403 2.7 212.5 1.0 C21 A:Q6F403 2.8 200.1 1.0 C09 A:Q6F403 3.0 210.8 1.0 N07 A:Q6F403 3.2 199.7 1.0 O A:ALA259 3.4 201.6 1.0 CE2 A:PHE145 3.8 203.8 1.0 CG1 A:VAL274 3.9 227.2 1.0 C19 A:Q6F403 4.0 219.9 1.0 C23 A:Q6F403 4.1 200.4 1.0 N A:ALA259 4.1 193.9 1.0 CD1 A:ILE278 4.1 172.7 1.0 CE1 A:PHE134 4.2 221.3 1.0 CB A:ALA259 4.2 190.1 1.0 C A:ALA259 4.3 194.5 1.0 CZ A:PHE244 4.3 156.9 1.0 CA A:ALA259 4.4 194.0 1.0 C22 A:Q6F403 4.6 209.2 1.0 CD1 A:PHE134 4.6 215.7 1.0 CG1 A:VAL258 4.6 226.2 1.0 CD2 A:PHE145 4.6 211.2 1.0 C13 A:Q6F403 4.7 222.7 1.0 CZ A:PHE145 4.7 186.9 1.0 CB A:VAL274 5.0 242.0 1.0

Chlorine binding site 2 out of 4 in the K2P2.1 (Trek-1):ML335 Complex, 200 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, 200 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:180.9 occ:1.00 CL2 A:Q6F403 0.0 180.9 1.0 C23 A:Q6F403 1.8 200.4 1.0 C22 A:Q6F403 2.7 209.2 1.0 C21 A:Q6F403 2.7 200.1 1.0 CD1 A:ILE143 3.4 214.7 1.0 C A:GLY137 3.5 180.8 1.0 O A:GLY137 3.6 174.6 1.0 CD1 A:ILE278 3.8 172.7 1.0 N A:THR138 3.8 175.6 1.0 OG1 A:THR141 3.9 162.2 1.0 CA A:GLY137 4.0 188.6 1.0 C19 A:Q6F403 4.0 219.9 1.0 C18 A:Q6F403 4.0 203.4 1.0 CG2 A:THR141 4.1 173.2 1.0 CA A:THR138 4.2 175.4 1.0 CG2 A:ILE278 4.4 155.2 1.0 C12 A:Q6F403 4.5 212.5 1.0 CB A:THR141 4.6 174.2 1.0 CG1 A:ILE143 4.6 204.9 1.0 CG2 A:THR138 4.7 157.4 1.0 CZ3 A:TRP275 4.7 230.4 1.0 O A:PHE134 4.8 196.4 1.0 CG1 A:ILE278 4.8 171.3 1.0 CB A:ILE143 4.9 188.9 1.0 CH2 A:TRP275 5.0 233.7 1.0

Chlorine binding site 3 out of 4 in the K2P2.1 (Trek-1):ML335 Complex, 200 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, 200 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:202.1 occ:1.00 CL1 B:Q6F404 0.0 202.1 1.0 C18 B:Q6F404 1.8 206.7 1.0 C21 B:Q6F404 2.7 213.6 1.0 C12 B:Q6F404 2.8 210.3 1.0 C09 B:Q6F404 3.1 208.3 1.0 N07 B:Q6F404 3.2 219.4 1.0 CE2 B:PHE145 3.4 154.1 1.0 O B:ALA259 3.7 164.7 1.0 CE1 B:PHE134 3.7 196.7 1.0 C23 B:Q6F404 4.0 216.8 1.0 C19 B:Q6F404 4.0 216.4 1.0 CD2 B:PHE145 4.0 161.0 1.0 N B:ALA259 4.2 152.0 1.0 CD1 B:ILE278 4.2 171.5 1.0 CG1 B:VAL258 4.2 173.7 1.0 CD1 B:PHE134 4.2 199.7 1.0 C13 B:Q6F404 4.2 219.3 1.0 CZ B:PHE145 4.3 153.5 1.0 CZ B:PHE244 4.5 174.1 1.0 CG1 B:VAL274 4.5 216.2 1.0 C22 B:Q6F404 4.5 212.3 1.0 C B:ALA259 4.5 162.2 1.0 C15 B:Q6F404 4.6 211.9 1.0 CB B:ALA259 4.6 159.2 1.0 CA B:ALA259 4.7 159.7 1.0 CZ B:PHE134 4.8 191.6 1.0 O04 B:Q6F404 5.0 226.2 1.0 C10 B:Q6F404 5.0 215.6 1.0 C B:VAL258 5.0 158.6 1.0

Chlorine binding site 4 out of 4 in the K2P2.1 (Trek-1):ML335 Complex, 200 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, 200 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:199.0 occ:1.00 CL2 B:Q6F404 0.0 199.0 1.0 C23 B:Q6F404 1.8 216.8 1.0 C22 B:Q6F404 2.7 212.3 1.0 C21 B:Q6F404 2.8 213.6 1.0 C B:GLY137 3.1 166.4 1.0 O B:GLY137 3.3 173.8 1.0 N B:THR138 3.4 162.5 1.0 CA B:GLY137 3.4 167.5 1.0 CD1 B:ILE143 3.9 187.4 1.0 OG1 B:THR141 3.9 181.9 1.0 C19 B:Q6F404 4.0 216.4 1.0 CA B:THR138 4.0 157.0 1.0 C18 B:Q6F404 4.1 206.7 1.0 CD1 B:ILE278 4.1 171.5 1.0 CG2 B:THR141 4.1 193.7 1.0 O B:PHE134 4.3 169.3 1.0 CZ3 B:TRP275 4.4 201.3 1.0 CH2 B:TRP275 4.5 210.2 1.0 C12 B:Q6F404 4.6 210.3 1.0 CG2 B:THR138 4.6 166.4 1.0 CB B:THR141 4.6 183.9 1.0 CG2 B:ILE278 4.7 135.4 1.0 N B:GLY137 4.7 168.6 1.0 CE3 B:TRP275 4.9 189.7 1.0 CB B:THR138 5.0 157.4 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