Chlorine in PDB 5o21: Crystal Structure of WNK3 Kinase Domain in A Monophosphorylated State with Chloride Bound in the Active Site

All present enzymatic activity of Crystal Structure of WNK3 Kinase Domain in A Monophosphorylated State with Chloride Bound in the Active Site:
2.7.11.1;

The structure of Crystal Structure of WNK3 Kinase Domain in A Monophosphorylated State with Chloride Bound in the Active Site, PDB code: 5o21 was solved by D.M.Pinkas, J.C.Bufton, K.Kupinska, D.Wang, M.Fairhead, R.Chalk, G.Berridge, N.A.Burgess-Brown, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, A.Bullock, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.71 / 2.06
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	117.410, 117.410, 46.010, 90.00, 90.00, 120.00
R / Rfree (%)	18 / 22.1

The binding sites of Chlorine atom in the Crystal Structure of WNK3 Kinase Domain in A Monophosphorylated State with Chloride Bound in the Active Site (pdb code 5o21). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of WNK3 Kinase Domain in A Monophosphorylated State with Chloride Bound in the Active Site, PDB code: 5o21:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of WNK3 Kinase Domain in A Monophosphorylated State with Chloride Bound in the Active Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of WNK3 Kinase Domain in A Monophosphorylated State with Chloride Bound in the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:34.8 occ:1.00 O A:HOH739 2.9 39.3 1.0 NZ A:LYS159 3.0 38.0 1.0 N A:LEU297 3.2 31.7 1.0 N A:GLY296 3.3 31.6 1.0 CA A:ASP294 3.5 34.7 1.0 CA A:GLY296 3.6 30.3 1.0 C A:ASP294 3.6 33.4 1.0 CE A:LYS159 3.7 39.7 1.0 C A:GLY296 3.9 32.6 1.0 N A:LEU295 3.9 32.1 1.0 CD2 A:LEU225 4.0 42.4 1.0 CB A:LEU297 4.0 37.1 1.0 O A:ASP294 4.1 30.1 1.0 CD A:LYS159 4.1 34.6 1.0 CA A:LEU297 4.2 35.3 1.0 OD1 A:ASP294 4.3 41.1 1.0 CB A:ASP294 4.3 35.8 1.0 C A:LEU295 4.4 34.7 1.0 N A:ASP294 4.4 33.7 1.0 CG A:ASP294 4.6 41.7 1.0 CD2 A:LEU178 4.7 37.4 1.0 CD1 A:LEU178 4.7 42.4 1.0 O A:HOH711 4.8 35.2 1.0 CA A:LEU295 4.8 29.6 1.0 CE1 A:PHE209 5.0 42.8 1.0 CG A:LEU178 5.0 40.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of WNK3 Kinase Domain in A Monophosphorylated State with Chloride Bound in the Active Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of WNK3 Kinase Domain in A Monophosphorylated State with Chloride Bound in the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:36.8 occ:1.00 N B:LEU297 3.2 34.2 1.0 N B:GLY296 3.3 34.5 1.0 NZ B:LYS159 3.4 39.3 1.0 CA B:ASP294 3.5 36.8 1.0 CA B:GLY296 3.6 37.8 1.0 C B:ASP294 3.7 37.1 1.0 CE B:LYS159 3.8 35.7 1.0 C B:GLY296 3.8 35.6 1.0 N B:LEU295 4.0 32.9 1.0 CB B:LEU297 4.0 40.6 1.0 CD1 B:LEU225 4.1 41.0 1.0 O B:ASP294 4.1 36.0 1.0 CD2 B:LEU178 4.2 40.5 1.0 CA B:LEU297 4.2 38.6 1.0 CD B:LYS159 4.2 39.3 1.0 C B:LEU295 4.4 35.5 1.0 OD1 B:ASP294 4.4 36.7 1.0 CB B:ASP294 4.4 36.9 1.0 N B:ASP294 4.5 35.7 1.0 CD1 B:LEU178 4.7 39.0 1.0 CG B:ASP294 4.7 43.1 1.0 O B:HOH703 4.8 36.6 1.0 CA B:LEU295 4.8 34.4 1.0 CE2 B:PHE209 4.9 54.3 1.0 CG B:LEU178 5.0 34.8 1.0

D.M.Pinkas, G.M.Daubner, J.C.Bufton, S.G.Bartual, C.E.Sanvitale, D.R.Alessi, A.Bullock. Crystal Structure of WNK3 Kinase Domain in A Monophosphorylated State with Chloride Bound in the Active Site To Be Published.