Chlorine in PDB 6w88: K2P2.1 (Trek-1):ML335 Complex, 30 Mm K+

The structure of K2P2.1 (Trek-1):ML335 Complex, 30 Mm K+, PDB code: 6w88 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 / 3.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.006, 119.996, 128.794, 90, 90, 90
R / Rfree (%)	25.9 / 29.4

The structure of K2P2.1 (Trek-1):ML335 Complex, 30 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, 30 Mm K+ (pdb code 6w88). 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, 30 Mm K+, PDB code: 6w88:
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, 30 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, 30 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:155.4 occ:1.00 CL1 A:Q6F401 0.0 155.4 1.0 C18 A:Q6F401 1.8 154.4 1.0 C21 A:Q6F401 2.7 155.9 1.0 C12 A:Q6F401 2.8 149.0 1.0 C09 A:Q6F401 3.1 142.3 1.0 N07 A:Q6F401 3.3 136.0 1.0 O A:ALA259 3.6 126.8 1.0 CE2 A:PHE145 3.7 97.7 1.0 CB A:ALA259 3.9 124.7 1.0 CE1 A:PHE134 4.0 114.8 1.0 C23 A:Q6F401 4.0 157.0 1.0 N A:ALA259 4.0 121.7 1.0 C19 A:Q6F401 4.0 151.3 1.0 CZ A:PHE244 4.1 100.3 1.0 CZ A:PHE145 4.2 96.2 1.0 CD1 A:ILE278 4.2 103.7 1.0 CA A:ALA259 4.3 123.8 1.0 C A:ALA259 4.4 127.4 1.0 CG1 A:VAL274 4.4 122.4 1.0 CG1 A:VAL258 4.4 111.2 1.0 C13 A:Q6F401 4.5 133.5 1.0 C22 A:Q6F401 4.6 153.7 1.0 CD2 A:PHE145 4.6 99.1 1.0 CD1 A:PHE134 4.7 113.7 1.0 C14 A:Q6F401 4.7 128.5 1.0 CE1 A:PHE244 4.9 101.5 1.0 CZ A:PHE134 4.9 114.8 1.0 CE2 A:PHE244 5.0 99.2 1.0

Chlorine binding site 2 out of 4 in the K2P2.1 (Trek-1):ML335 Complex, 30 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, 30 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:159.4 occ:1.00 CL2 A:Q6F401 0.0 159.4 1.0 C23 A:Q6F401 1.8 157.0 1.0 C21 A:Q6F401 2.7 155.9 1.0 C22 A:Q6F401 2.7 153.7 1.0 C A:GLY137 3.5 113.3 1.0 O A:GLY137 3.6 111.6 1.0 N A:THR138 3.7 116.9 1.0 CA A:GLY137 3.8 110.2 1.0 OG1 A:THR141 3.9 108.8 1.0 C18 A:Q6F401 4.0 154.4 1.0 C19 A:Q6F401 4.0 151.3 1.0 CD1 A:ILE278 4.1 103.7 1.0 CD1 A:ILE143 4.1 112.7 1.0 CA A:THR138 4.2 119.4 1.0 CG2 A:THR138 4.4 122.3 1.0 O A:PHE134 4.5 117.7 1.0 C12 A:Q6F401 4.5 149.0 1.0 CG2 A:THR141 4.6 108.6 1.0 CG2 A:ILE278 4.8 103.5 1.0 CH2 A:TRP275 4.8 150.5 1.0 CZ3 A:TRP275 4.8 151.2 1.0 CE1 A:PHE134 4.9 114.8 1.0 CD1 A:PHE134 4.9 113.7 1.0 CB A:THR141 4.9 109.2 1.0 CB A:THR138 5.0 123.8 1.0

Chlorine binding site 3 out of 4 in the K2P2.1 (Trek-1):ML335 Complex, 30 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, 30 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:114.0 occ:1.00 CL1 B:Q6F404 0.0 114.0 1.0 C18 B:Q6F404 1.8 114.4 1.0 C21 B:Q6F404 2.7 114.7 1.0 C12 B:Q6F404 2.8 115.8 1.0 C09 B:Q6F404 3.0 118.7 1.0 N07 B:Q6F404 3.3 123.0 1.0 O B:ALA259 3.5 127.0 1.0 CB B:ALA259 3.8 121.6 1.0 CE2 B:PHE145 3.9 141.2 1.0 N B:ALA259 4.0 117.4 1.0 CZ B:PHE244 4.0 115.9 1.0 C23 B:Q6F404 4.0 115.2 1.0 C19 B:Q6F404 4.0 116.0 1.0 CE1 B:PHE134 4.2 134.6 1.0 CG1 B:VAL274 4.2 135.2 1.0 CA B:ALA259 4.3 122.1 1.0 CD1 B:ILE278 4.3 120.2 1.0 C B:ALA259 4.3 129.7 1.0 CZ B:PHE145 4.4 141.0 1.0 CG1 B:VAL258 4.5 110.2 1.0 C13 B:Q6F404 4.5 128.0 1.0 C22 B:Q6F404 4.5 115.4 1.0 CD1 B:PHE134 4.8 135.0 1.0 CD2 B:PHE145 4.8 139.7 1.0 CE1 B:PHE244 4.8 116.7 1.0 CE2 B:PHE244 4.9 117.3 1.0 C15 B:Q6F404 5.0 142.7 1.0

Chlorine binding site 4 out of 4 in the K2P2.1 (Trek-1):ML335 Complex, 30 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, 30 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:114.8 occ:1.00 CL2 B:Q6F404 0.0 114.8 1.0 C23 B:Q6F404 1.8 115.2 1.0 C21 B:Q6F404 2.7 114.7 1.0 C22 B:Q6F404 2.7 115.4 1.0 C B:GLY137 3.7 111.2 1.0 O B:GLY137 3.8 113.3 1.0 CD1 B:ILE278 3.9 120.2 1.0 N B:THR138 3.9 108.5 1.0 CA B:GLY137 4.0 111.8 1.0 CD1 B:ILE143 4.0 138.3 1.0 C18 B:Q6F404 4.0 114.4 1.0 C19 B:Q6F404 4.0 116.0 1.0 OG1 B:THR141 4.0 102.7 1.0 CA B:THR138 4.4 108.5 1.0 C12 B:Q6F404 4.5 115.8 1.0 CG2 B:ILE278 4.6 118.1 1.0 O B:PHE134 4.6 129.4 1.0 CG2 B:THR138 4.6 116.8 1.0 CZ3 B:TRP275 4.7 124.5 1.0 CG2 B:THR141 4.7 99.7 1.0 CH2 B:TRP275 4.7 124.1 1.0 CD1 B:PHE134 4.8 135.0 1.0 CE1 B:PHE134 4.9 134.6 1.0 CB B:THR141 5.0 101.1 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