Magnesium in PDB 8wa7: E.Coli Transketolase Soaked with Donor Ketose D-Fructose

The structure of E.Coli Transketolase Soaked with Donor Ketose D-Fructose, PDB code: 8wa7 was solved by Z.Liu, S.Dai, K.Tittmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.85 / 1.63
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	90.093, 102.479, 133.872, 90, 90, 90
R / Rfree (%)	15.3 / 18.6

The binding sites of Magnesium atom in the E.Coli Transketolase Soaked with Donor Ketose D-Fructose (pdb code 8wa7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the E.Coli Transketolase Soaked with Donor Ketose D-Fructose, PDB code: 8wa7:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the E.Coli Transketolase Soaked with Donor Ketose D-Fructose


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of E.Coli Transketolase Soaked with Donor Ketose D-Fructose within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg714 b:3.5 occ:1.00 O A:ILE187 2.3 10.4 1.0 O2A A:THD713 2.3 13.5 1.0 O3B A:THD713 2.3 11.4 1.0 OD2 A:ASP155 2.4 11.1 1.0 OD1 A:ASN185 2.4 10.8 1.0 O A:HOH907 2.4 10.4 1.0 CG A:ASN185 3.2 10.4 1.0 CG A:ASP155 3.4 11.5 1.0 C A:ILE187 3.5 10.7 1.0 ND2 A:ASN185 3.5 10.4 1.0 PB A:THD713 3.5 15.5 1.0 PA A:THD713 3.6 15.8 1.0 O3A A:THD713 3.7 14.7 1.0 CB A:ASP155 3.8 7.9 1.0 O2B A:THD713 3.9 24.0 1.0 N A:ILE187 4.0 11.6 1.0 N A:ASP155 4.1 7.6 1.0 CA A:ILE187 4.2 11.7 1.0 O A:HOH1022 4.3 14.0 1.0 O A:ASP183 4.4 13.1 1.0 O1B A:THD713 4.5 19.5 1.0 N A:SER188 4.5 10.6 1.0 O7 A:THD713 4.5 17.6 1.0 OD1 A:ASP155 4.5 10.5 1.0 O1A A:THD713 4.6 17.1 1.0 CA A:ASP155 4.6 8.3 1.0 CB A:ASN185 4.7 8.6 1.0 CA A:SER188 4.7 10.2 1.0 CB A:ILE187 4.7 10.0 1.0 N A:GLY186 4.8 10.5 1.0 N A:ASN185 4.9 8.8 1.0 C A:ASN185 5.0 12.4 1.0

Magnesium binding site 2 out of 2 in the E.Coli Transketolase Soaked with Donor Ketose D-Fructose


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of E.Coli Transketolase Soaked with Donor Ketose D-Fructose within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg714 b:3.3 occ:1.00 O B:ILE187 2.2 12.0 1.0 OD2 B:ASP155 2.3 12.9 1.0 O3B B:THD713 2.3 14.4 1.0 OD1 B:ASN185 2.3 11.0 1.0 O2A B:THD713 2.3 11.8 1.0 O B:HOH961 2.4 8.9 1.0 CG B:ASN185 3.2 13.4 1.0 CG B:ASP155 3.3 12.6 1.0 C B:ILE187 3.4 11.5 1.0 ND2 B:ASN185 3.5 9.2 1.0 PA B:THD713 3.5 13.8 1.0 PB B:THD713 3.5 15.3 1.0 O3A B:THD713 3.7 15.1 1.0 CB B:ASP155 3.7 10.0 1.0 N B:ILE187 3.9 9.9 1.0 N B:ASP155 4.1 9.6 1.0 O2B B:THD713 4.1 20.8 1.0 CA B:ILE187 4.2 10.5 1.0 O7 B:THD713 4.3 18.6 1.0 O B:HOH911 4.4 17.6 1.0 OD1 B:ASP155 4.4 15.9 1.0 N B:SER188 4.4 9.5 1.0 O B:ASP183 4.5 12.2 1.0 CA B:ASP155 4.6 11.8 1.0 O1B B:THD713 4.6 21.7 1.0 O1A B:THD713 4.6 16.5 1.0 CB B:ASN185 4.7 11.0 1.0 CA B:SER188 4.7 9.3 1.0 CB B:ILE187 4.7 11.6 1.0 N B:GLY186 4.8 10.0 1.0 N B:ASN185 4.9 10.7 1.0 C B:ASN185 5.0 11.0 1.0

Z.Liu, C.Xiao, S.Lin, K.Tittmann, S.Dai. Multifaceted Role of the Substrate Phosphate Group in Transketolase Catalysis Acs Catalysis V. 14 355 2024.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.3C04543