Sodium in PDB 4o1g: Mtb Adenosine Kinase in Complex with Gamma-Thio-Atp

All present enzymatic activity of Mtb Adenosine Kinase in Complex with Gamma-Thio-Atp:
2.7.1.20;

The structure of Mtb Adenosine Kinase in Complex with Gamma-Thio-Atp, PDB code: 4o1g was solved by J.Dostal, J.Brynda, M.Hocek, I.Pichova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.66 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	54.843, 72.410, 82.430, 90.00, 99.44, 90.00
R / Rfree (%)	18.6 / 20.9

The binding sites of Sodium atom in the Mtb Adenosine Kinase in Complex with Gamma-Thio-Atp (pdb code 4o1g). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Mtb Adenosine Kinase in Complex with Gamma-Thio-Atp, PDB code: 4o1g:

Sodium binding site 1 out of 1 in the Mtb Adenosine Kinase in Complex with Gamma-Thio-Atp


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Mtb Adenosine Kinase in Complex with Gamma-Thio-Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Na401 b:25.4 occ:1.00 O A:VAL287 2.3 22.1 1.0 O A:ASP251 2.3 39.1 1.0 O A:GLY292 2.3 25.1 1.0 O A:SER290 2.5 29.3 1.0 O A:THR253 2.9 29.6 1.0 C A:ASP251 3.4 46.2 1.0 C A:VAL287 3.4 21.4 1.0 C A:GLY292 3.6 24.7 1.0 CB A:ASP251 3.6 50.9 1.0 CG2 A:THR253 3.6 39.5 1.0 CG1 A:VAL287 3.6 20.2 1.0 C A:SER290 3.7 29.9 1.0 CG A:ASP251 3.9 51.2 1.0 C A:THR253 4.0 29.9 1.0 CA A:ASP251 4.0 49.7 1.0 N A:GLY292 4.1 29.5 1.0 N A:THR253 4.1 37.6 1.0 O A:HOH572 4.2 25.2 1.0 OD2 A:ASP251 4.2 50.3 1.0 N A:LEU288 4.3 21.3 1.0 C A:THR291 4.3 31.8 1.0 CA A:VAL287 4.3 20.5 1.0 OD1 A:ASP251 4.3 51.5 1.0 O A:LEU288 4.3 25.8 1.0 CA A:LEU288 4.4 22.5 1.0 CA A:GLY292 4.4 27.3 1.0 N A:SER290 4.4 28.0 1.0 OG A:SER290 4.4 32.6 1.0 C A:LEU288 4.5 24.0 1.0 N A:PRO252 4.5 43.9 1.0 CA A:THR253 4.5 33.8 1.0 C A:PRO252 4.5 40.1 1.0 N A:THR293 4.5 23.2 1.0 CA A:SER290 4.6 29.8 1.0 N A:ASP251 4.6 51.6 1.0 N A:THR291 4.6 32.4 1.0 CB A:VAL287 4.6 19.8 1.0 O A:THR291 4.6 33.7 1.0 CA A:THR293 4.7 22.8 1.0 CB A:THR253 4.7 36.6 1.0 CA A:THR291 4.7 33.2 1.0 CA A:PRO252 4.8 42.2 1.0

J.Snasel, P.Naus, J.Dostal, A.Hnizda, J.Fanfrlik, J.Brynda, A.Bourderioux, M.Dusek, H.Dvorakova, J.Stolarikova, H.Zabranska, R.Pohl, P.Konecny, P.Dzubak, I.Votruba, M.Hajduch, P.Rezacova, V.Veverka, M.Hocek, I.Pichova. Structural Basis For Inhibition of Mycobacterial and Human Adenosine Kinase By 7-Substituted 7-(Het)Aryl-7-Deazaadenine Ribonucleosides J.Med.Chem. V. 57 8268 2014.
ISSN: ISSN 0022-2623
PubMed: 25259627
DOI: 10.1021/JM500497V