Calcium in PDB 8wa9: Human Transketolase Soaked with Donor Ketose D-Fructose

All present enzymatic activity of Human Transketolase Soaked with Donor Ketose D-Fructose:
2.2.1.1;

The structure of Human Transketolase Soaked with Donor Ketose D-Fructose, PDB code: 8wa9 was solved by Z.Liu, K.Tittmann, S.Dai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.43 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.4, 86.4, 92.5, 90, 94, 90
R / Rfree (%)	16.2 / 18.7

The binding sites of Calcium atom in the Human Transketolase Soaked with Donor Ketose D-Fructose (pdb code 8wa9). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Human Transketolase Soaked with Donor Ketose D-Fructose, PDB code: 8wa9:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Human Transketolase Soaked with Donor Ketose D-Fructose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Transketolase Soaked with Donor Ketose D-Fructose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca701 b:18.3 occ:1.00 OD1 A:ASP155 2.1 13.1 1.0 O A:LEU187 2.1 12.6 1.0 OD1 A:ASN185 2.1 11.6 1.0 O2A A:THD702 2.2 11.5 1.0 O3B A:THD702 2.2 11.5 1.0 O A:HOH984 2.3 11.8 1.0 CG A:ASN185 3.1 12.9 1.0 CG A:ASP155 3.2 15.1 1.0 PB A:THD702 3.3 11.8 1.0 C A:LEU187 3.3 12.2 1.0 PA A:THD702 3.3 12.2 1.0 ND2 A:ASN185 3.5 10.8 1.0 O3A A:THD702 3.5 11.9 1.0 O1B A:THD702 3.8 12.2 1.0 OD2 A:ASP155 3.8 14.6 1.0 N A:ASP155 3.9 10.4 1.0 N A:LEU187 4.0 11.4 1.0 N A:GLY156 4.1 12.3 1.0 O7 A:THD702 4.2 12.2 1.0 N A:GLY188 4.2 14.3 1.0 CA A:LEU187 4.2 12.5 1.0 NZ A:LYS244 4.3 11.9 1.0 O A:ASP183 4.4 12.6 1.0 CA A:GLY188 4.4 13.8 1.0 O1A A:THD702 4.4 13.2 1.0 CB A:ASP155 4.4 11.6 1.0 CB A:ASN185 4.5 14.7 1.0 N A:ASN185 4.5 11.3 1.0 O2B A:THD702 4.5 11.4 1.0 CA A:ASP155 4.6 11.7 1.0 N A:ARG186 4.6 12.9 1.0 C A:ASN185 4.6 13.9 1.0 CA A:ASN185 4.8 12.5 1.0 CD A:LYS244 4.8 11.6 1.0 C A:ASP155 4.8 11.8 1.0 C A:ARG186 4.9 12.2 1.0 CE A:LYS244 4.9 12.0 1.0 C A:GLY154 5.0 11.2 1.0 CB A:LEU187 5.0 12.8 1.0

Calcium binding site 2 out of 2 in the Human Transketolase Soaked with Donor Ketose D-Fructose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human Transketolase Soaked with Donor Ketose D-Fructose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca701 b:17.5 occ:1.00 O B:LEU187 2.1 12.4 1.0 OD1 B:ASP155 2.1 13.3 1.0 O2A B:THD702 2.1 11.2 1.0 OD1 B:ASN185 2.1 11.6 1.0 O3B B:THD702 2.1 11.6 1.0 O B:HOH927 2.3 10.9 1.0 CG B:ASN185 3.1 13.6 1.0 C B:LEU187 3.2 11.4 1.0 CG B:ASP155 3.2 12.7 1.0 PB B:THD702 3.3 11.5 1.0 PA B:THD702 3.3 11.9 1.0 ND2 B:ASN185 3.5 13.3 1.0 O3A B:THD702 3.5 11.5 1.0 O1B B:THD702 3.8 11.5 1.0 OD2 B:ASP155 3.8 14.5 1.0 N B:LEU187 3.9 11.6 1.0 N B:ASP155 4.0 10.4 1.0 N B:GLY156 4.1 11.7 1.0 CA B:LEU187 4.2 13.8 1.0 N B:GLY188 4.2 13.7 1.0 O7 B:THD702 4.2 12.1 1.0 CA B:GLY188 4.3 10.0 1.0 NZ B:LYS244 4.3 11.4 1.0 O B:ASP183 4.4 13.1 1.0 CB B:ASP155 4.5 12.8 1.0 O1A B:THD702 4.5 13.0 1.0 CB B:ASN185 4.5 12.5 1.0 N B:ASN185 4.5 11.1 1.0 O2B B:THD702 4.6 12.8 1.0 CA B:ASP155 4.6 12.4 1.0 C B:ASN185 4.6 12.0 1.0 N B:ARG186 4.7 12.3 1.0 CD B:LYS244 4.7 12.2 1.0 CA B:ASN185 4.7 11.7 1.0 C B:ARG186 4.9 12.1 1.0 C B:ASP155 4.9 11.0 1.0 CB B:LEU187 4.9 12.2 1.0 CE B:LYS244 4.9 13.7 1.0 C B:GLY154 5.0 13.1 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