Sodium in PDB 2aa0: Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside

All present enzymatic activity of Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside:
2.7.1.20;

The structure of Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside, PDB code: 2aa0 was solved by Y.Zhang, M.H.El Kouni, S.E.Ealick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.45 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.348, 61.701, 91.958, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 24

The structure of Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Sodium atom in the Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside (pdb code 2aa0). 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 T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside, PDB code: 2aa0:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside


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 T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside within 5.0Å range: probe atom residue distance (Å) B Occ A:Na2002 b:37.0 occ:1.00 O A:HOH3081 2.4 35.6 1.0 OD1 A:ASN268 2.4 21.9 1.0 O A:THR269 2.5 25.8 1.0 O A:THR290 2.5 23.8 1.0 O A:HOH3079 3.3 44.8 1.0 C A:THR290 3.4 29.1 1.0 CG A:ASN268 3.4 22.5 1.0 O A:ALA291 3.5 24.8 1.0 NE2 A:GLN289 3.7 26.6 1.0 CA A:ALA291 3.7 29.8 1.0 C A:THR269 3.7 25.3 1.0 C A:ALA291 3.8 27.3 1.0 ND2 A:ASN268 3.9 27.1 1.0 N A:ALA291 3.9 29.9 1.0 O A:GLN289 3.9 28.3 1.0 CG A:GLN289 4.0 23.0 1.0 N A:THR269 4.1 27.3 1.0 CD A:GLN289 4.1 22.2 1.0 O A:ALA271 4.1 29.8 1.0 C A:GLN289 4.4 27.2 1.0 N A:GLY293 4.4 23.6 1.0 CA A:THR290 4.5 25.0 1.0 CA A:THR269 4.6 25.1 1.0 CB A:ASN268 4.6 21.6 1.0 N A:THR290 4.6 22.1 1.0 N A:SER270 4.7 26.7 1.0 CA A:SER270 4.7 22.7 1.0 C A:ASN268 4.7 27.4 1.0 N A:ASP292 4.8 26.1 1.0 CA A:ASN268 4.8 21.9 1.0 CB A:GLN289 4.8 26.6 1.0 CA A:GLY293 4.8 23.1 1.0 O A:HOH3249 4.8 42.2 1.0 C A:SER270 4.9 26.6 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside


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 T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside within 5.0Å range: probe atom residue distance (Å) B Occ A:Na2003 b:37.3 occ:1.00 O A:HIS351 2.2 37.0 1.0 O A:VAL348 2.3 35.0 1.0 O A:HOH3234 2.3 43.8 1.0 O A:GLY353 2.3 38.5 1.0 C A:VAL348 3.4 31.7 1.0 C A:GLY353 3.5 42.2 1.0 C A:HIS351 3.5 42.0 1.0 N A:GLY353 3.6 38.4 1.0 CG1 A:VAL348 3.7 36.0 1.0 C A:VAL352 3.9 42.4 1.0 CA A:GLY353 4.1 43.4 1.0 CA A:VAL352 4.2 44.5 1.0 CA A:ILE349 4.2 31.9 1.0 N A:ILE349 4.2 31.4 1.0 N A:VAL352 4.3 41.4 1.0 N A:HIS351 4.3 37.2 1.0 CA A:VAL348 4.3 30.6 1.0 O A:ASP312 4.4 40.5 1.0 CA A:HIS351 4.5 41.1 1.0 N A:PHE354 4.5 37.2 1.0 C A:ILE349 4.5 35.4 1.0 CD2 A:PHE354 4.5 35.0 1.0 O A:VAL352 4.6 44.5 1.0 O A:ASN314 4.6 36.5 1.0 CB A:VAL348 4.7 36.0 1.0 CA A:PHE354 4.8 37.0 1.0 CD2 A:HIS351 4.8 47.0 1.0 CG A:HIS351 4.9 44.6 1.0 CB A:ASP312 4.9 51.7 1.0 N A:GLN350 4.9 34.6 1.0 CE2 A:PHE354 4.9 35.6 1.0 O A:ILE349 4.9 35.1 1.0 NE2 A:HIS351 5.0 50.1 1.0

Y.Zhang, M.H.El Kouni, S.E.Ealick. Substrate Analogs Induce An Intermediate Conformational Change in Toxoplasma Gondii Adenosine Kinase Acta Crystallogr.,Sect.D V. 63 126 2007.
ISSN: ISSN 0907-4449
PubMed: 17242506
DOI: 10.1107/S0907444906043654