Cadmium in PDB 8ue2: Structure of Trek-1CG*:ML335

The structure of Structure of Trek-1CG*:ML335, PDB code: 8ue2 was solved by A.Mondal, H.Lee, D.L.Minor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.53 / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.929, 119.655, 128.652, 90, 90, 90
R / Rfree (%)	26.6 / 29.2

The structure of Structure of Trek-1CG*:ML335 also contains other interesting chemical elements:

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

The binding sites of Cadmium atom in the Structure of Trek-1CG*:ML335 (pdb code 8ue2). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 4 binding sites of Cadmium where determined in the Structure of Trek-1CG*:ML335, PDB code: 8ue2:
Jump to Cadmium binding site number: 1; 2; 3; 4;

Cadmium binding site 1 out of 4 in the Structure of Trek-1CG*:ML335


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Structure of Trek-1CG*:ML335 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd412 b:202.0 occ:1.00 OD2 A:ASP128 2.9 107.8 1.0 OD1 A:ASP128 3.0 153.1 1.0 SG A:CYS131 3.2 171.7 1.0 CG A:ASP128 3.3 135.9 1.0 O A:SER125 4.2 136.9 1.0 N A:CYS131 4.5 122.5 1.0 CB A:CYS131 4.6 134.2 1.0 NZ A:LYS271 4.6 100.3 1.0 N08 A:Q6F410 4.6 148.9 1.0 CB A:ASP128 4.7 118.8 1.0 C16 A:Q6F410 4.7 120.2 1.0 CA A:CYS131 5.0 126.7 1.0

Cadmium binding site 2 out of 4 in the Structure of Trek-1CG*:ML335


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Structure of Trek-1CG*:ML335 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd404 b:280.0 occ:1.00 NE2 B:HIS126 3.1 165.8 1.0 C20 B:Q6F413 3.4 155.5 1.0 O B:GLY261 3.7 118.5 1.0 CD2 B:HIS126 4.0 143.0 1.0 CE1 B:HIS126 4.0 171.7 1.0 OD2 B:ASP263 4.2 177.7 1.0 OD1 B:ASP263 4.2 157.0 1.0 CG B:ASP263 4.5 162.2 1.0 C B:GLY261 4.9 100.2 1.0

Cadmium binding site 3 out of 4 in the Structure of Trek-1CG*:ML335


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Structure of Trek-1CG*:ML335 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd405 b:181.5 occ:1.00 OE1 B:GLU309 2.9 210.2 1.0 CE1 B:HIS313 3.1 179.4 1.0 ND1 B:HIS313 3.5 187.7 1.0 CB B:ALA312 3.5 218.5 1.0 CD B:GLU309 3.5 206.1 1.0 OE2 B:GLU309 3.9 209.0 1.0 NE2 B:HIS313 3.9 186.8 1.0 O B:GLU309 4.1 189.6 1.0 CA B:GLU309 4.2 181.6 1.0 CG B:HIS313 4.4 184.5 1.0 CB B:GLU309 4.5 191.2 1.0 CG B:GLU309 4.6 196.4 1.0 CD2 B:HIS313 4.6 190.7 1.0 C B:GLU309 4.6 173.3 1.0 CA B:ALA312 4.6 221.8 1.0 C B:ALA312 4.7 200.6 1.0 N B:HIS313 4.7 212.3 1.0

Cadmium binding site 4 out of 4 in the Structure of Trek-1CG*:ML335


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Structure of Trek-1CG*:ML335 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd406 b:170.2 occ:0.82 OD2 B:ASP128 2.8 108.7 1.0 OD1 B:ASP128 3.1 120.7 1.0 CG B:ASP128 3.2 116.4 1.0 SG B:CYS131 3.3 119.4 1.0 O B:SER125 4.2 149.1 1.0 CB B:ASP128 4.6 107.3 1.0 N B:CYS131 4.6 113.1 1.0 CB B:CYS131 4.6 115.3 1.0 CG1 B:VAL124 4.9 167.3 1.0 NZ B:LYS271 5.0 114.5 1.0

A.Mondal, H.Lee, D.L.Minor. Structure of Trek-1CG*:ML335 To Be Published.