Chlorine in PDB 6w8f: K2P2.1 (Trek-1):ML335 Complex, 0 Mm K+

The structure of K2P2.1 (Trek-1):ML335 Complex, 0 Mm K+, PDB code: 6w8f 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)	14.99 / 3.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.671, 119.963, 128.941, 90, 90, 90
R / Rfree (%)	24.7 / 26.7

The structure of K2P2.1 (Trek-1):ML335 Complex, 0 Mm K+ also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the K2P2.1 (Trek-1):ML335 Complex, 0 Mm K+ (pdb code 6w8f). 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, 0 Mm K+, PDB code: 6w8f:
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, 0 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, 0 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:148.1 occ:1.00 CL1 A:Q6F402 0.0 148.1 1.0 C18 A:Q6F402 1.8 148.8 1.0 C21 A:Q6F402 2.7 148.2 1.0 C12 A:Q6F402 2.8 150.8 1.0 N07 A:Q6F402 2.9 156.0 1.0 C09 A:Q6F402 3.1 153.3 1.0 O A:ALA259 3.2 150.8 1.0 CE1 A:PHE134 3.4 149.0 1.0 CD1 A:PHE134 4.0 146.6 1.0 C14 A:Q6F402 4.0 162.0 1.0 C23 A:Q6F402 4.0 147.9 1.0 C19 A:Q6F402 4.0 149.7 1.0 CE2 A:PHE145 4.1 131.9 1.0 CG1 A:VAL258 4.2 136.8 1.0 C A:ALA259 4.2 150.7 1.0 N A:ALA259 4.2 146.1 1.0 C13 A:Q6F402 4.2 158.3 1.0 CB A:ALA259 4.3 148.8 1.0 CZ A:PHE134 4.3 149.9 1.0 CG1 A:VAL274 4.4 137.6 1.0 CA A:ALA259 4.5 148.5 1.0 CD1 A:ILE278 4.5 109.9 1.0 C22 A:Q6F402 4.5 148.7 1.0 CZ A:PHE145 4.6 132.3 1.0 C10 A:Q6F402 4.7 161.8 1.0 CZ A:PHE244 4.7 131.3 1.0 CD2 A:PHE145 4.8 131.8 1.0 C16 A:Q6F402 4.9 164.1 1.0

Chlorine binding site 2 out of 4 in the K2P2.1 (Trek-1):ML335 Complex, 0 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, 0 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:147.6 occ:1.00 CL2 A:Q6F402 0.0 147.6 1.0 C23 A:Q6F402 1.8 147.9 1.0 C22 A:Q6F402 2.7 148.7 1.0 C21 A:Q6F402 2.7 148.2 1.0 C A:GLY137 3.4 123.1 1.0 O A:GLY137 3.6 121.8 1.0 N A:THR138 3.6 122.6 1.0 OG1 A:THR141 3.8 113.2 1.0 CA A:GLY137 3.9 124.9 1.0 C18 A:Q6F402 4.0 148.8 1.0 C19 A:Q6F402 4.0 149.7 1.0 CA A:THR138 4.0 122.4 1.0 CD1 A:ILE278 4.1 109.9 1.0 CD1 A:ILE143 4.1 121.5 1.0 CG2 A:THR138 4.1 129.0 1.0 CG2 A:THR141 4.3 113.8 1.0 C12 A:Q6F402 4.5 150.8 1.0 CZ3 A:TRP275 4.6 142.4 1.0 O A:PHE134 4.6 132.3 1.0 CG2 A:ILE278 4.6 110.3 1.0 CB A:THR141 4.7 113.2 1.0 CH2 A:TRP275 4.7 141.5 1.0 CB A:THR138 4.8 126.2 1.0 CE3 A:TRP275 5.0 141.4 1.0

Chlorine binding site 3 out of 4 in the K2P2.1 (Trek-1):ML335 Complex, 0 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, 0 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl409 b:133.9 occ:1.00 CL1 B:Q6F409 0.0 133.9 1.0 C18 B:Q6F409 1.8 134.5 1.0 C21 B:Q6F409 2.7 133.8 1.0 C12 B:Q6F409 2.8 136.3 1.0 C09 B:Q6F409 3.0 139.2 1.0 N07 B:Q6F409 3.1 141.9 1.0 O B:ALA259 3.5 142.1 1.0 CE1 B:PHE134 3.6 135.2 1.0 CE2 B:PHE145 3.8 124.3 1.0 C23 B:Q6F409 4.0 133.9 1.0 C19 B:Q6F409 4.0 135.5 1.0 N B:ALA259 4.1 142.2 1.0 CB B:ALA259 4.2 142.8 1.0 CG1 B:VAL258 4.2 139.3 1.0 CZ B:PHE145 4.2 122.0 1.0 CD1 B:PHE134 4.3 133.6 1.0 C B:ALA259 4.3 143.9 1.0 CZ B:PHE244 4.4 134.0 1.0 CD1 B:ILE278 4.4 121.2 1.0 C13 B:Q6F409 4.4 143.7 1.0 CA B:ALA259 4.4 142.9 1.0 C22 B:Q6F409 4.5 134.6 1.0 CG1 B:VAL274 4.6 137.4 1.0 CZ B:PHE134 4.6 135.7 1.0 CD2 B:PHE145 4.6 125.2 1.0 C15 B:Q6F409 4.9 150.6 1.0 CE1 B:PHE244 5.0 133.9 1.0

Chlorine binding site 4 out of 4 in the K2P2.1 (Trek-1):ML335 Complex, 0 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, 0 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl409 b:133.7 occ:1.00 CL2 B:Q6F409 0.0 133.7 1.0 C23 B:Q6F409 1.8 133.9 1.0 C22 B:Q6F409 2.7 134.6 1.0 C21 B:Q6F409 2.7 133.8 1.0 C B:GLY137 3.2 116.5 1.0 N B:THR138 3.3 115.5 1.0 O B:GLY137 3.5 116.0 1.0 CA B:GLY137 3.7 117.6 1.0 CA B:THR138 3.7 115.4 1.0 CG2 B:THR138 3.8 119.4 1.0 OG1 B:THR141 3.9 110.5 1.0 C18 B:Q6F409 4.0 134.5 1.0 C19 B:Q6F409 4.0 135.5 1.0 O B:PHE134 4.2 125.7 1.0 CD1 B:ILE143 4.3 113.9 1.0 CD1 B:ILE278 4.3 121.2 1.0 CB B:THR138 4.4 117.2 1.0 CG2 B:THR141 4.5 110.6 1.0 C12 B:Q6F409 4.5 136.3 1.0 CH2 B:TRP275 4.7 131.7 1.0 N B:GLY137 4.8 117.7 1.0 CB B:THR141 4.8 110.1 1.0 CZ3 B:TRP275 4.8 131.1 1.0 CD1 B:PHE134 4.9 133.6 1.0 CE1 B:PHE134 4.9 135.2 1.0 CG2 B:ILE278 4.9 121.4 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