Calcium in PDB 1gpu: Transketolase Complex with Reaction Intermediate

All present enzymatic activity of Transketolase Complex with Reaction Intermediate:
2.2.1.1;

The structure of Transketolase Complex with Reaction Intermediate, PDB code: 1gpu was solved by E.Fiedler, S.Thorell, T.Sandalova, S.Koenig, G.Schneider, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.86
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	74.300, 113.200, 159.400, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 22.5

The binding sites of Calcium atom in the Transketolase Complex with Reaction Intermediate (pdb code 1gpu). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Transketolase Complex with Reaction Intermediate, PDB code: 1gpu:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Transketolase Complex with Reaction Intermediate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Transketolase Complex with Reaction Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1681 b:18.6 occ:1.00 O A:ILE189 2.4 20.2 1.0 OD1 A:ASN187 2.5 16.6 1.0 OD2 A:ASP157 2.5 16.5 1.0 O1B A:THD1682 2.6 20.4 1.0 O2A A:THD1682 2.6 19.4 1.0 O A:HOH2140 2.7 17.7 1.0 CG A:ASN187 3.3 17.5 1.0 CG A:ASP157 3.5 18.2 1.0 C A:ILE189 3.5 19.6 1.0 ND2 A:ASN187 3.5 16.8 1.0 O3A A:THD1682 3.6 23.4 1.0 PB A:THD1682 3.6 22.3 1.0 PA A:THD1682 3.8 22.7 1.0 CB A:ASP157 3.8 16.8 1.0 N A:ILE189 4.0 17.8 1.0 N A:ASP157 4.0 15.7 1.0 O3B A:THD1682 4.1 23.9 1.0 CA A:ILE189 4.3 17.7 1.0 CG2 A:THR190 4.3 18.9 1.0 O7 A:THD1682 4.4 23.6 1.0 O A:ASP185 4.4 19.0 1.0 N A:THR190 4.5 17.5 1.0 CA A:ASP157 4.6 15.8 1.0 OD1 A:ASP157 4.6 16.2 1.0 O A:HOH2139 4.7 20.3 1.0 CB A:ASN187 4.7 16.4 1.0 CA A:THR190 4.7 17.4 1.0 N A:LYS188 4.8 17.9 1.0 CB A:ILE189 4.8 18.4 1.0 N A:ASN187 4.8 17.1 1.0 O2B A:THD1682 4.9 23.8 1.0 O1A A:THD1682 4.9 23.3 1.0 C A:ASN187 4.9 17.9 1.0

Calcium binding site 2 out of 2 in the Transketolase Complex with Reaction Intermediate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Transketolase Complex with Reaction Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1681 b:71.8 occ:1.00 OD2 B:ASP157 2.7 18.3 1.0 O1B B:THD1682 2.8 14.8 1.0 OD1 B:ASN187 2.9 14.1 1.0 O2A B:THD1682 2.9 17.2 1.0 O B:ASP185 3.1 14.9 1.0 N B:ASP157 3.2 14.5 1.0 CG B:ASN187 3.4 15.7 1.0 ND2 B:ASN187 3.4 17.7 1.0 O B:HOH2148 3.5 17.5 1.0 CG B:ASP157 3.5 18.3 1.0 O3A B:THD1682 3.6 20.1 1.0 CA B:GLY156 3.7 14.4 1.0 O B:ILE189 3.9 19.3 1.0 PA B:THD1682 3.9 20.2 1.0 CB B:ASP157 3.9 14.8 1.0 C B:GLY156 4.0 15.2 1.0 PB B:THD1682 4.0 20.5 1.0 CA B:ASP157 4.2 14.7 1.0 C B:ASP185 4.3 15.3 1.0 N B:ASN187 4.4 15.8 1.0 OD1 B:ASP157 4.4 17.3 1.0 OD2 B:ASP185 4.5 17.3 1.0 CB B:ASP185 4.6 18.8 1.0 O1A B:THD1682 4.6 21.8 1.0 CB B:ASN187 4.7 14.5 1.0 CG B:ASP185 4.7 19.7 1.0 O2B B:THD1682 4.9 19.6 1.0

E.Fiedler, S.Thorell, T.Sandalova, R.Golbik, S.Koenig, G.Schneider. Snapshot of A Key Intermediate in Enzymatic Thiamin Catalysis: Crystal Structure of the Alpha-Carbanion of (Alpha,Beta-Dihydroxyethyl)-Thiamin Diphosphate in the Active Site of Transketolase From Saccharomyces Cerevisiae. Proc.Natl.Acad.Sci.Usa V. 99 591 2002.
ISSN: ISSN 0027-8424
PubMed: 11773632
DOI: 10.1073/PNAS.022510999