Cadmium 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:

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

The binding sites of Cadmium 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 Cadmium atom.
In total 4 binding sites of Cadmium where determined in the K2P2.1 (Trek-1):ML335 Complex, 0 Mm K+, PDB code: 6w8f:
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, 0 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, 0 Mm K+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd409 b:184.2 occ:0.50 C20 A:Q6F402 3.4 172.0 1.0 CE1 A:HIS126 3.4 175.9 1.0 ND1 A:HIS126 3.9 175.7 1.0 OD1 A:ASP263 4.0 188.9 1.0 OD2 A:ASP263 4.1 191.2 1.0 NE2 A:HIS126 4.1 175.7 1.0 CG A:ASP263 4.4 190.3 1.0 O A:GLY261 4.7 170.3 1.0 CG A:HIS126 4.8 174.1 1.0 NH2 B:ARG77 4.9 189.1 1.0 CD2 A:HIS126 4.9 174.9 1.0 S03 A:Q6F402 4.9 171.2 1.0

Cadmium 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 Cadmium with other atoms in the Cd 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 B:Cd403 b:254.2 occ:1.00 CE1 B:HIS126 3.4 187.5 1.0 OD2 B:ASP263 3.7 182.6 1.0 OD1 B:ASP263 3.7 182.6 1.0 NE2 B:HIS126 3.8 186.7 1.0 CG B:ASP263 4.0 181.5 1.0 CD1 B:ILE115 4.2 213.9 1.0 ND1 B:HIS126 4.4 186.0 1.0 CD2 B:HIS126 4.9 184.5 1.0 O B:GLY261 5.0 167.4 1.0

Cadmium 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 Cadmium with other atoms in the Cd 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:Cd404 b:171.2 occ:1.00 OE1 B:GLU309 2.8 181.4 1.0 CE1 B:HIS313 3.0 189.1 1.0 ND1 B:HIS313 3.2 188.7 1.0 CB B:ALA312 3.3 179.1 1.0 CD B:GLU309 3.4 178.9 1.0 OE2 B:GLU309 3.7 184.2 1.0 O B:GLU309 3.9 161.0 1.0 NE2 B:HIS313 3.9 188.7 1.0 CA B:GLU309 4.0 158.5 1.0 CG B:HIS313 4.2 186.1 1.0 CB B:GLU309 4.3 160.9 1.0 C B:ALA312 4.3 180.3 1.0 N B:HIS313 4.4 181.5 1.0 CA B:ALA312 4.4 178.3 1.0 CG B:GLU309 4.4 166.4 1.0 C B:GLU309 4.4 161.1 1.0 CD2 B:HIS313 4.6 187.1 1.0 O B:ALA312 4.8 180.2 1.0 O B:GLY308 4.9 155.4 1.0

Cadmium 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 Cadmium with other atoms in the Cd 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:Cd405 b:203.6 occ:0.61 OD2 B:ASP128 2.9 168.9 1.0 OD1 B:ASP128 3.6 166.6 1.0 CG B:ASP128 3.6 165.6 1.0 CA B:GLY130 4.0 156.0 1.0 OG B:SER131 4.1 146.1 1.0 N B:SER131 4.2 148.5 1.0 N B:GLY130 4.3 158.8 1.0 C B:GLY130 4.4 151.3 1.0 NZ B:LYS271 4.5 149.5 1.0 C16 B:Q6F409 4.6 153.0 1.0 C31 B:R16411 4.9 139.9 1.0 CB B:ASP128 5.0 158.4 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