Nickel in PDB 7pad: The Crystal Structure of Dw-0254 in Complex with PDE6D

The structure of The Crystal Structure of Dw-0254 in Complex with PDE6D, PDB code: 7pad was solved by E.Beaumont, D.Williams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.05 / 1.49
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.507, 39.277, 44.803, 90, 106.07, 90
R / Rfree (%)	18.4 / 21

The binding sites of Nickel atom in the The Crystal Structure of Dw-0254 in Complex with PDE6D (pdb code 7pad). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the The Crystal Structure of Dw-0254 in Complex with PDE6D, PDB code: 7pad:

Nickel binding site 1 out of 1 in the The Crystal Structure of Dw-0254 in Complex with PDE6D


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of The Crystal Structure of Dw-0254 in Complex with PDE6D within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni201 b:13.1 occ:1.00 O B:SER2 2.1 12.1 1.0 N B:SER2 2.1 12.4 1.0 C B:SER2 2.8 13.3 1.0 CA B:SER2 2.9 13.2 1.0 O B:HOH422 3.9 39.6 1.0 N B:ALA3 4.1 12.9 1.0 CB B:SER2 4.2 14.8 1.0 O B:HOH430 4.5 35.2 1.0 CA B:ALA3 4.8 13.7 1.0

S.Canovas Nunes, S.De Vita, A.Anighoro, F.Autelitano, E.Beaumont, P.Klingbeil, M.Mcguinness, B.Duvert, C.Harris, L.Yang, S.P.Pokharel, C.W.Chen, M.Ermann, D.A.Williams, H.Xu. Validation of A Small Molecule Inhibitor of PDE6D-Ras Interaction with Favorable Anti-Leukemic Effects. Blood Cancer J V. 12 64 2022.
ISSN: ISSN 2044-5385
PubMed: 35422065
DOI: 10.1038/S41408-022-00663-Z