Zinc in PDB 3zdu: Crystal Structure of the Human CDKL3 Kinase Domain

All present enzymatic activity of Crystal Structure of the Human CDKL3 Kinase Domain:
2.7.11.22;

The structure of Crystal Structure of the Human CDKL3 Kinase Domain, PDB code: 3zdu was solved by P.Canning, J.M.Elkins, S.Goubin, P.Mahajan, A.C.W.Pike, A.Quigley, A.Mackenzie, E.P.Carpenter, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, A.Bullock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.89 / 2.20
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	63.930, 63.930, 163.630, 90.00, 90.00, 120.00
R / Rfree (%)	21.4 / 26.2

The structure of Crystal Structure of the Human CDKL3 Kinase Domain also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Zinc atom in the Crystal Structure of the Human CDKL3 Kinase Domain (pdb code 3zdu). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the Human CDKL3 Kinase Domain, PDB code: 3zdu:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Human CDKL3 Kinase Domain


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Human CDKL3 Kinase Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn351 b:40.2 occ:1.00 OD1 A:ASP175 2.0 50.3 1.0 NE2 A:HIS223 2.1 42.6 1.0 O A:HOH2087 2.1 24.5 1.0 CG A:ASP175 2.7 44.2 1.0 OD2 A:ASP175 2.7 42.5 1.0 CE1 A:HIS223 2.9 46.4 1.0 CD2 A:HIS223 3.2 41.8 1.0 CD1 A:ILE227 4.0 55.8 1.0 ND1 A:HIS223 4.1 45.9 1.0 CB A:ASP175 4.2 42.9 1.0 CG A:HIS223 4.3 44.5 1.0 N A:THR176 4.4 46.8 1.0 CA A:ASP175 4.7 44.0 1.0 N A:SER177 4.7 46.9 1.0 C A:ASP175 4.9 45.0 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Human CDKL3 Kinase Domain


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Human CDKL3 Kinase Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn352 b:43.3 occ:1.00 O A:HOH2158 1.8 36.3 1.0 NE2 A:HIS92 2.0 42.0 1.0 O A:HOH2029 2.2 36.5 1.0 O A:HOH2034 2.3 56.6 1.0 O A:HOH2033 2.7 43.4 1.0 CE1 A:HIS92 3.0 44.2 1.0 CD2 A:HIS92 3.1 42.2 1.0 ND1 A:HIS92 4.1 44.2 1.0 OE1 A:GLN91 4.1 40.3 1.0 CG A:HIS92 4.2 43.2 1.0 OD1 A:ASP88 4.5 41.2 1.0 O A:HOH2031 4.8 50.0 1.0

P.Canning, J.M.Elkins, S.Goubin, P.Mahajan, A.C.W.Pike, A.Quigley, A.Mackenzie, E.P.Carpenter, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, A.Bullock. Crystal Structure of the Human CDKL3 Kinase Domain To Be Published.