Sodium in PDB 4pae: Crystal Structure of Catalase-Peroxidase (Katg) W78F Mutant From Synechococcus Elongatus PCC7942

All present enzymatic activity of Crystal Structure of Catalase-Peroxidase (Katg) W78F Mutant From Synechococcus Elongatus PCC7942:
1.11.1.21;

The structure of Crystal Structure of Catalase-Peroxidase (Katg) W78F Mutant From Synechococcus Elongatus PCC7942, PDB code: 4pae was solved by S.Kamachi, K.Wada, T.Tada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.27 / 3.21
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	107.673, 107.673, 204.788, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 26

The structure of Crystal Structure of Catalase-Peroxidase (Katg) W78F Mutant From Synechococcus Elongatus PCC7942 also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Sodium atom in the Crystal Structure of Catalase-Peroxidase (Katg) W78F Mutant From Synechococcus Elongatus PCC7942 (pdb code 4pae). 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 Catalase-Peroxidase (Katg) W78F Mutant From Synechococcus Elongatus PCC7942, PDB code: 4pae:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Catalase-Peroxidase (Katg) W78F Mutant From Synechococcus Elongatus PCC7942


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 Catalase-Peroxidase (Katg) W78F Mutant From Synechococcus Elongatus PCC7942 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na802 b:41.1 occ:1.00 O A:SER476 2.3 45.1 1.0 O A:GLY107 2.7 44.1 1.0 O A:GLY105 2.8 43.5 1.0 N A:GLY107 3.2 51.5 1.0 C A:SER476 3.3 52.9 1.0 C A:GLY107 3.4 47.9 1.0 C A:ARG106 3.4 52.3 1.0 CA A:ARG106 3.5 53.7 1.0 CA A:GLY107 3.8 50.5 1.0 C A:GLY105 3.8 47.2 1.0 CA A:SER476 3.9 52.3 1.0 O A:ARG106 4.1 53.5 1.0 N A:ARG106 4.2 48.7 1.0 CB A:SER476 4.3 47.9 1.0 N A:GLY108 4.3 50.5 1.0 OD2 A:ASP413 4.4 69.1 1.0 N A:ASP477 4.4 55.2 1.0 CB A:ASP413 4.7 72.9 1.0 CB A:ARG106 4.8 54.2 1.0 CA A:ASP477 4.8 57.0 1.0 CA A:GLY108 4.8 55.3 1.0 CD1 A:TYR100 5.0 53.2 1.0 CB A:ASP477 5.0 55.6 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Catalase-Peroxidase (Katg) W78F Mutant From Synechococcus Elongatus PCC7942


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 Catalase-Peroxidase (Katg) W78F Mutant From Synechococcus Elongatus PCC7942 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na803 b:57.4 occ:1.00 O A:HIS317 2.1 76.7 1.0 O A:THR264 2.4 50.1 1.0 O A:GLN320 2.8 68.7 1.0 OD1 A:ASP322 2.8 78.1 1.0 OG1 A:THR315 2.9 62.9 1.0 OD2 A:ASP322 3.0 80.2 1.0 CG A:ASP322 3.2 78.4 1.0 C A:HIS317 3.2 74.9 1.0 CB A:THR315 3.4 63.1 1.0 C A:THR264 3.6 52.8 1.0 CA A:PRO318 3.8 69.5 1.0 N A:PRO318 3.9 74.7 1.0 CG2 A:THR315 3.9 63.3 1.0 C A:GLN320 3.9 66.8 1.0 CG2 A:THR264 4.2 55.4 1.0 CA A:HIS317 4.3 76.5 1.0 C A:PRO318 4.4 64.1 1.0 N A:VAL265 4.4 60.4 1.0 CA A:VAL265 4.4 67.7 1.0 CA A:THR264 4.5 53.9 1.0 N A:GLN320 4.5 65.1 1.0 N A:HIS317 4.5 77.3 1.0 CB A:ASP322 4.6 73.9 1.0 N A:ASP322 4.6 65.7 1.0 CB A:HIS317 4.7 75.4 1.0 CA A:GLN320 4.7 68.7 1.0 O A:PRO318 4.8 59.4 1.0 CA A:THR315 4.9 64.0 1.0 N A:TRP321 4.9 65.1 1.0 N A:THR319 4.9 58.8 1.0 CG1 A:VAL265 4.9 77.0 1.0

S.Kamachi, K.Hirabayashi, M.Tamoi, S.Shigeoka, T.Tada, K.Wada. Crystal Structure of the Catalase-Peroxidase Katg W78F Mutant From Synechococcus Elongatus PCC7942 in Complex with the Antitubercular Pro-Drug Isoniazid. Febs Lett. V. 589 131 2015.
ISSN: ISSN 0014-5793
PubMed: 25479089
DOI: 10.1016/J.FEBSLET.2014.11.037