Cadmium in PDB 6w8a: K2P2.1 (Trek-1):ML335 Complex, 10 Mm K+

The structure of K2P2.1 (Trek-1):ML335 Complex, 10 Mm K+, PDB code: 6w8a 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)	15.00 / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.867, 119.951, 129.245, 90, 90, 90
R / Rfree (%)	25.1 / 26.4

The structure of K2P2.1 (Trek-1):ML335 Complex, 10 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, 10 Mm K+ (pdb code 6w8a). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 4 binding sites of Cadmium where determined in the K2P2.1 (Trek-1):ML335 Complex, 10 Mm K+, PDB code: 6w8a:
Jump to Cadmium binding site number: 1; 2; 3; 4;

Cadmium binding site 1 out of 4 in the K2P2.1 (Trek-1):ML335 Complex, 10 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, 10 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd409 b:261.5 occ:0.50 OD1 A:ASP263 3.3 196.3 1.0 C20 A:Q6F403 3.3 137.1 1.0 OD2 A:ASP263 3.7 200.5 1.0 CG A:ASP263 3.9 196.3 1.0 CE1 A:HIS126 3.9 154.4 1.0 O A:GLY261 4.2 134.9 1.0 ND1 A:HIS126 4.3 154.9 1.0 NE2 A:HIS126 4.7 156.3 1.0 S03 A:Q6F403 4.9 132.0 1.0

Cadmium binding site 2 out of 4 in the K2P2.1 (Trek-1):ML335 Complex, 10 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, 10 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd403 b:290.5 occ:1.00 OD1 B:ASP263 3.2 173.3 1.0 OD2 B:ASP263 3.3 178.3 1.0 CE1 B:HIS126 3.4 157.3 1.0 CG B:ASP263 3.6 173.5 1.0 NE2 B:HIS126 4.0 152.8 1.0 ND1 B:HIS126 4.3 157.3 1.0 CD1 B:ILE115 4.5 210.9 1.0 O B:GLY261 5.0 139.5 1.0

Cadmium binding site 3 out of 4 in the K2P2.1 (Trek-1):ML335 Complex, 10 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, 10 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd404 b:156.4 occ:1.00 OE1 B:GLU309 2.7 207.9 1.0 CE1 B:HIS313 2.9 161.3 1.0 CD B:GLU309 3.1 191.3 1.0 OE2 B:GLU309 3.1 186.2 1.0 ND1 B:HIS313 3.5 166.6 1.0 NE2 B:HIS313 3.9 152.1 1.0 CG B:GLU309 4.3 164.8 1.0 CA B:GLU309 4.4 151.0 1.0 CB B:GLU309 4.5 154.3 1.0 CG B:HIS313 4.7 164.8 1.0 O B:GLU309 4.7 149.2 1.0 CB B:ALA312 4.8 180.5 1.0 CD2 B:HIS313 4.9 152.2 1.0

Cadmium binding site 4 out of 4 in the K2P2.1 (Trek-1):ML335 Complex, 10 Mm K+


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of K2P2.1 (Trek-1):ML335 Complex, 10 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd405 b:198.1 occ:0.61 OD2 B:ASP128 3.2 136.3 1.0 OD1 B:ASP128 3.8 135.5 1.0 CG B:ASP128 3.9 134.5 1.0 NZ B:LYS271 3.9 135.5 1.0 OG B:SER131 4.0 111.8 1.0 C16 B:Q6F409 4.4 120.4 1.0 CA B:GLY130 4.4 137.7 1.0 N B:SER131 4.4 123.4 1.0 C B:GLY130 4.6 129.1 1.0 N B:GLY130 4.7 143.2 1.0 C31 B:R16411 4.9 130.7 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