Bromine in PDB 4q2a: WNK1: A Chloride Sensor Via Autophosphorylation

All present enzymatic activity of WNK1: A Chloride Sensor Via Autophosphorylation:
2.7.11.1;

The structure of WNK1: A Chloride Sensor Via Autophosphorylation, PDB code: 4q2a was solved by A.Piala, T.Moon, R.Akella, H.He, M.H.Cobb, E.Goldsmith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.41 / 3.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.005, 58.304, 65.043, 90.00, 91.35, 90.00
R / Rfree (%)	24.3 / 29.7

The binding sites of Bromine atom in the WNK1: A Chloride Sensor Via Autophosphorylation (pdb code 4q2a). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the WNK1: A Chloride Sensor Via Autophosphorylation, PDB code: 4q2a:

Bromine binding site 1 out of 1 in the WNK1: A Chloride Sensor Via Autophosphorylation


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of WNK1: A Chloride Sensor Via Autophosphorylation within 5.0Å range: probe atom residue distance (Å) B Occ A:Br501 b:0.7 occ:1.00 CG2 A:THR301 3.5 93.2 1.0 N A:GLY370 3.5 0.7 1.0 CD1 A:LEU299 3.6 97.5 1.0 N A:LEU369 4.0 93.7 1.0 CA A:GLY370 4.0 0.4 1.0 CA A:ASP368 4.1 92.0 1.0 N A:LEU371 4.3 0.8 1.0 C A:ASP368 4.3 92.3 1.0 CE1 A:PHE283 4.4 92.0 1.0 CD1 A:PHE283 4.4 89.5 1.0 N A:ASP368 4.5 89.2 1.0 CB A:LEU299 4.5 0.6 1.0 OG1 A:THR301 4.6 95.0 1.0 CG A:LEU299 4.6 0.3 1.0 C A:GLY370 4.6 0.2 1.0 C A:LEU369 4.6 98.4 1.0 CB A:THR301 4.7 93.8 1.0 CG A:LEU371 4.7 0.9 1.0 CA A:LEU369 4.8 94.8 1.0

A.T.Piala, T.M.Moon, R.Akella, H.He, M.H.Cobb, E.J.Goldsmith. Chloride Sensing By WNK1 Involves Inhibition of Autophosphorylation. Sci.Signal. V. 7 RA41 2014.
ISSN: ESSN 1937-9145
PubMed: 24803536
DOI: 10.1126/SCISIGNAL.2005050