Cadmium 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:

Chlorine	(Cl)	4 atoms
Potassium	(K)	5 atoms

The binding sites of Cadmium 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 Cadmium atom.
In total 3 binding sites of Cadmium where determined in the K2P2.1 (Trek-1):ML335 Complex, 200 Mm K+, PDB code: 6w85:
Jump to Cadmium binding site number: 1; 2; 3;

Cadmium binding site 1 out of 3 in the K2P2.1 (Trek-1):ML335 Complex, 200 Mm K+


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, 200 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd406 b:189.5 occ:0.50 CE1 A:HIS126 3.2 213.9 1.0 NE2 A:HIS126 3.5 225.9 1.0 ND1 A:HIS126 3.9 227.8 1.0 C20 A:Q6F403 4.0 237.8 1.0 CD2 A:HIS126 4.4 232.2 1.0 O A:GLY261 4.6 218.7 1.0 CG A:HIS126 4.6 248.5 1.0 OD2 A:ASP263 4.8 245.2 1.0

Cadmium binding site 2 out of 3 in the K2P2.1 (Trek-1):ML335 Complex, 200 Mm K+


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, 200 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd401 b:181.5 occ:0.50 OD2 B:ASP263 3.3 223.5 1.0 NE2 B:HIS126 3.3 269.9 1.0 OD1 B:ASP263 3.3 183.3 1.0 CG B:ASP263 3.6 224.9 1.0 CE1 B:HIS126 3.8 236.9 1.0 CD1 B:ILE115 3.9 267.4 1.0 CD2 B:HIS126 4.1 292.1 1.0 ND1 B:HIS126 4.7 256.1 1.0 CG1 B:ILE115 4.8 290.5 1.0 CG B:HIS126 4.9 282.1 1.0 O B:GLY261 4.9 222.6 1.0 CB B:ASP263 5.0 235.0 1.0

Cadmium binding site 3 out of 3 in the K2P2.1 (Trek-1):ML335 Complex, 200 Mm K+


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, 200 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd402 b:214.5 occ:1.00 CB B:ALA312 3.5 225.4 1.0 OE2 B:GLU309 3.6 291.2 1.0 CG B:GLU309 3.6 299.8 1.0 CE1 B:HIS313 3.7 282.0 1.0 CD B:GLU309 3.8 299.9 1.0 ND1 B:HIS313 4.1 290.9 1.0 NE2 B:HIS313 4.3 281.0 1.0 CA B:GLU309 4.3 293.6 1.0 CB B:GLU309 4.3 299.8 1.0 O B:GLU309 4.6 299.8 1.0 OE1 B:GLU309 4.7 299.9 1.0 CA B:ALA312 4.8 232.2 1.0 CG B:HIS313 4.8 282.3 1.0 CD2 B:HIS313 4.9 283.1 1.0 N B:HIS313 5.0 223.4 1.0 C B:ALA312 5.0 214.8 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