Cadmium in PDB 7a1t: A Collapsed Hexameric State of A De Novo Coiled-Coil Assembly: Cc- TYPE2-(Gglaid)4-W19BRPHE.

The structure of A Collapsed Hexameric State of A De Novo Coiled-Coil Assembly: Cc- TYPE2-(Gglaid)4-W19BRPHE., PDB code: 7a1t was solved by G.G.Rhys, R.L.Brady, D.N.Woolfson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.22 / 1.42
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	50.646, 129.687, 59.141, 90, 90, 90
R / Rfree (%)	14.9 / 19.3

The structure of A Collapsed Hexameric State of A De Novo Coiled-Coil Assembly: Cc- TYPE2-(Gglaid)4-W19BRPHE. also contains other interesting chemical elements:

Bromine

(Br)

7 atoms

The binding sites of Cadmium atom in the A Collapsed Hexameric State of A De Novo Coiled-Coil Assembly: Cc- TYPE2-(Gglaid)4-W19BRPHE. (pdb code 7a1t). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total only one binding site of Cadmium was determined in the A Collapsed Hexameric State of A De Novo Coiled-Coil Assembly: Cc- TYPE2-(Gglaid)4-W19BRPHE., PDB code: 7a1t:

Cadmium binding site 1 out of 1 in the A Collapsed Hexameric State of A De Novo Coiled-Coil Assembly: Cc- TYPE2-(Gglaid)4-W19BRPHE.


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of A Collapsed Hexameric State of A De Novo Coiled-Coil Assembly: Cc- TYPE2-(Gglaid)4-W19BRPHE. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd101 b:18.0 occ:0.50 NE2 B:GLN26 1.6 13.0 0.5 CD B:GLN26 2.1 20.1 0.5 OE1 B:GLN26 2.1 21.1 0.5 OE1 B:GLN26 2.3 21.7 0.5 OE1 B:GLU23 2.3 29.7 0.5 OE2 B:GLU23 2.5 9.8 0.5 OE1 B:GLU23 3.0 19.5 0.5 CD B:GLU23 3.0 11.7 0.5 CD B:GLU23 3.2 28.9 0.5 CD B:GLN26 3.2 21.2 0.5 CG B:GLN26 3.5 19.1 0.5 OE2 B:GLU23 3.6 34.5 0.5 NE2 B:GLN26 3.6 21.1 0.5 O B:HOH203 3.9 47.0 1.0 CB B:GLN26 4.3 19.3 0.5 CG B:GLU23 4.5 25.4 0.5 CG B:GLU23 4.5 15.8 0.5 CB B:GLN26 4.5 20.9 0.5 CG B:GLN26 4.5 21.8 0.5 NZ A:LYS29 4.7 49.5 1.0 CA B:GLU23 5.0 16.8 0.5 CA B:GLU23 5.0 19.6 0.5

W.M.Dawson, F.J.O.Martin, G.G.Rhys, K.L.Shelley, R.L.Brady, D.N.Woolfson. Coiled Coils 9-to-5: Rational De Novo Design of Alpha-Helical Barrels with Tunable Oligomeric States Chem Sci 2021.
ISSN: ESSN 2041-6539
DOI: 10.1039/D1SC00460C