Cadmium in PDB 6cq8: K2P2.1(Trek-1):ML335 Complex

The structure of K2P2.1(Trek-1):ML335 Complex, PDB code: 6cq8 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 / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.074, 119.386, 128.179, 90.00, 90.00, 90.00
R / Rfree (%)	25.7 / 27.7

The structure of K2P2.1(Trek-1):ML335 Complex also contains other interesting chemical elements:

Potassium	(K)	6 atoms
Chlorine	(Cl)	4 atoms

The binding sites of Cadmium atom in the K2P2.1(Trek-1):ML335 Complex (pdb code 6cq8). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 3 binding sites of Cadmium where determined in the K2P2.1(Trek-1):ML335 Complex, PDB code: 6cq8:
Jump to Cadmium binding site number: 1; 2; 3;

Cadmium binding site 1 out of 3 in the K2P2.1(Trek-1):ML335 Complex


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of K2P2.1(Trek-1):ML335 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd404 b:0.8 occ:1.00 CE1 B:HIS126 3.2 0.8 1.0 OD1 B:ASP263 3.7 0.4 1.0 OD2 B:ASP263 3.8 0.1 1.0 NE2 B:HIS126 3.9 0.9 1.0 CG B:ASP263 4.1 0.1 1.0 ND1 B:HIS126 4.1 0.2 1.0 O B:GLY261 4.6 0.3 1.0 CD1 B:ILE115 4.6 0.3 1.0

Cadmium binding site 2 out of 3 in the K2P2.1(Trek-1):ML335 Complex


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of K2P2.1(Trek-1):ML335 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd405 b:0.9 occ:1.00 CE1 B:HIS313 2.6 0.2 1.0 OE1 B:GLU309 2.9 0.2 1.0 ND1 B:HIS313 3.1 0.5 1.0 NE2 B:HIS313 3.4 0.6 1.0 CB B:ALA312 3.4 0.1 1.0 CD B:GLU309 3.5 0.5 1.0 OE2 B:GLU309 3.8 0.8 1.0 CA B:GLU309 3.9 0.4 1.0 O B:GLU309 4.0 0.3 1.0 CG B:HIS313 4.0 0.0 1.0 CD2 B:HIS313 4.2 0.4 1.0 CB B:GLU309 4.3 0.2 1.0 C B:GLU309 4.5 0.7 1.0 CG B:GLU309 4.5 0.1 1.0 C B:ALA312 4.6 0.6 1.0 CA B:ALA312 4.6 0.8 1.0 N B:HIS313 4.8 0.6 1.0 O B:ALA312 4.9 0.3 1.0 N B:GLU309 5.0 0.9 1.0

Cadmium binding site 3 out of 3 in the K2P2.1(Trek-1):ML335 Complex


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of K2P2.1(Trek-1):ML335 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd406 b:0.7 occ:0.61 OD2 B:ASP128 2.8 0.6 1.0 CG B:ASP128 3.5 0.7 1.0 OD1 B:ASP128 3.6 0.7 1.0 OG B:SER131 3.9 88.4 1.0 NZ B:LYS271 4.0 95.8 1.0 CA B:GLY130 4.0 0.3 1.0 N B:SER131 4.1 0.3 1.0 N B:GLY130 4.2 0.7 1.0 C B:GLY130 4.3 0.8 1.0 C16 B:Q6F410 4.7 90.1 1.0 H312 B:R16412 4.8 0.3 1.0 CB B:SER131 4.8 88.4 1.0 CB B:ASP128 4.9 0.3 1.0 CA B:SER131 4.9 94.4 1.0

M.Lolicato, C.Arrigoni, T.Mori, Y.Sekioka, C.Bryant, K.A.Clark, D.L.Minor. K2P2.1 (Trek-1)-Activator Complexes Reveal A Cryptic Selectivity Filter Binding Site. Nature V. 547 364 2017.
ISSN: ESSN 1476-4687
PubMed: 28693035
DOI: 10.1038/NATURE22988