Sodium in PDB 8q22: Crystal Structure of Vanadium-Dependent Haloperoxidase R425S Mutant in Complex with 1,3,5-Trimethoxybenzene (A. Marina)

The structure of Crystal Structure of Vanadium-Dependent Haloperoxidase R425S Mutant in Complex with 1,3,5-Trimethoxybenzene (A. Marina), PDB code: 8q22 was solved by P.Zeides, K.Bellmannn-Sickert, R.Zhang, C.J.Seel, V.Most, C.T.Schroeder, M.Groll, T.Gulder, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 3.30
Space group	F 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	305.8, 305.8, 305.8, 90, 90, 90
R / Rfree (%)	21.6 / 24.9

The binding sites of Sodium atom in the Crystal Structure of Vanadium-Dependent Haloperoxidase R425S Mutant in Complex with 1,3,5-Trimethoxybenzene (A. Marina) (pdb code 8q22). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Vanadium-Dependent Haloperoxidase R425S Mutant in Complex with 1,3,5-Trimethoxybenzene (A. Marina), PDB code: 8q22:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Vanadium-Dependent Haloperoxidase R425S Mutant in Complex with 1,3,5-Trimethoxybenzene (A. Marina)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Vanadium-Dependent Haloperoxidase R425S Mutant in Complex with 1,3,5-Trimethoxybenzene (A. Marina) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na903 b:89.4 occ:0.33 OD1 A:ASP82 4.1 108.4 1.0 OG1 A:THR84 4.3 115.8 1.0 OD2 A:ASP82 4.3 112.4 1.0 CG A:ASP82 4.6 109.1 1.0 CB A:THR84 5.0 114.5 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Vanadium-Dependent Haloperoxidase R425S Mutant in Complex with 1,3,5-Trimethoxybenzene (A. Marina)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Vanadium-Dependent Haloperoxidase R425S Mutant in Complex with 1,3,5-Trimethoxybenzene (A. Marina) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na904 b:79.3 occ:1.00 OD1 A:ASP393 2.9 119.4 1.0 CG A:ASP393 3.9 119.0 1.0 CG A:GLN399 4.2 123.9 1.0 OD2 A:ASP393 4.3 117.5 1.0 O A:LYS391 4.5 121.2 1.0 O A:PHE389 4.8 121.9 1.0 CD A:GLN399 5.0 123.6 1.0

P.Zeides, K.Bellmannn-Sickert, R.Zhang, C.J.Seel, V.Most, C.T.Schroeder, M.Groll, T.Gulder. Unraveling the Molecular Basis of Substrate Specificity and Halogen Activation in Vanadium-Dependent Haloperoxidases To Be Published.