Calcium in PDB 1ngs: Complex of Transketolase with Thiamin Diphosphate, CA2+ and Acceptor Substrate Erythrose-4-Phosphate

All present enzymatic activity of Complex of Transketolase with Thiamin Diphosphate, CA2+ and Acceptor Substrate Erythrose-4-Phosphate:
2.2.1.1;

The structure of Complex of Transketolase with Thiamin Diphosphate, CA2+ and Acceptor Substrate Erythrose-4-Phosphate, PDB code: 1ngs was solved by U.Nilsson, Y.Lindqvist, G.Schneider, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.500, 113.300, 160.900, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 23.9

The binding sites of Calcium atom in the Complex of Transketolase with Thiamin Diphosphate, CA2+ and Acceptor Substrate Erythrose-4-Phosphate (pdb code 1ngs). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Complex of Transketolase with Thiamin Diphosphate, CA2+ and Acceptor Substrate Erythrose-4-Phosphate, PDB code: 1ngs:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Complex of Transketolase with Thiamin Diphosphate, CA2+ and Acceptor Substrate Erythrose-4-Phosphate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Complex of Transketolase with Thiamin Diphosphate, CA2+ and Acceptor Substrate Erythrose-4-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca681 b:17.4 occ:1.00 OD1 A:ASP157 2.2 16.3 1.0 OD1 A:ASN187 2.3 16.5 1.0 O A:ILE189 2.3 25.8 1.0 O2A A:TPP682 2.5 22.0 1.0 O1B A:TPP682 2.6 27.7 1.0 CG A:ASP157 3.3 14.4 1.0 CG A:ASN187 3.3 20.1 1.0 C A:ILE189 3.5 26.1 1.0 ND2 A:ASN187 3.6 15.7 1.0 PB A:TPP682 3.7 26.4 1.0 PA A:TPP682 3.8 26.4 1.0 O3A A:TPP682 3.8 25.6 1.0 CB A:ASP157 3.8 14.8 1.0 N A:ASP157 3.9 11.5 1.0 N A:ILE189 4.0 26.2 1.0 O3B A:TPP682 4.1 26.9 1.0 CG2 A:THR190 4.2 25.0 1.0 O A:ASP185 4.3 17.7 1.0 OD2 A:ASP157 4.3 17.2 1.0 CA A:ILE189 4.3 26.8 1.0 CA A:ASP157 4.5 13.2 1.0 N A:THR190 4.5 25.7 1.0 O7 A:TPP682 4.6 28.8 1.0 CB A:ASN187 4.7 15.4 1.0 N A:ASN187 4.7 17.9 1.0 O1A A:TPP682 4.7 26.6 1.0 N A:LYS188 4.7 24.3 1.0 CA A:THR190 4.7 27.6 1.0 O A:HOH903 4.7 31.7 1.0 CA A:ASN187 4.9 19.2 1.0 CB A:ILE189 5.0 29.7 1.0 C A:GLY156 5.0 11.7 1.0 C A:ASN187 5.0 21.7 1.0 O2B A:TPP682 5.0 27.8 1.0

Calcium binding site 2 out of 2 in the Complex of Transketolase with Thiamin Diphosphate, CA2+ and Acceptor Substrate Erythrose-4-Phosphate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Complex of Transketolase with Thiamin Diphosphate, CA2+ and Acceptor Substrate Erythrose-4-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca681 b:20.9 occ:1.00 O B:ILE189 2.0 24.1 1.0 OD2 B:ASP157 2.2 18.2 1.0 OD1 B:ASN187 2.4 18.0 1.0 O3B B:TPP682 2.6 26.1 1.0 C B:ILE189 3.2 25.5 1.0 CG B:ASP157 3.4 15.7 1.0 O2A B:TPP682 3.4 24.9 1.0 CG B:ASN187 3.5 15.6 1.0 PB B:TPP682 3.5 26.9 1.0 O3A B:TPP682 3.6 26.9 1.0 N B:ILE189 3.8 25.9 1.0 PA B:TPP682 3.8 24.0 1.0 ND2 B:ASN187 3.9 19.3 1.0 CB B:ASP157 4.0 13.3 1.0 CA B:ILE189 4.0 24.2 1.0 O2B B:TPP682 4.2 27.8 1.0 N B:THR190 4.2 25.5 1.0 CG2 B:THR190 4.3 27.8 1.0 N B:ASP157 4.3 8.6 1.0 OD1 B:ASP157 4.3 15.9 1.0 CA B:THR190 4.5 26.1 1.0 O B:ASP185 4.6 9.9 1.0 CB B:ILE189 4.6 25.1 1.0 O1A B:TPP682 4.6 22.7 1.0 N B:LYS188 4.7 21.0 1.0 O1B B:TPP682 4.7 32.1 1.0 CB B:ASN187 4.8 14.6 1.0 N B:ASN187 4.8 14.6 1.0 O B:HOH923 4.8 25.6 1.0 CA B:ASP157 4.8 10.7 1.0 C B:LYS188 4.9 25.4 1.0 C B:ASN187 4.9 18.9 1.0 CG2 B:ILE189 5.0 23.6 1.0 CA B:ASN187 5.0 15.2 1.0

U.Nilsson, L.Meshalkina, Y.Lindqvist, G.Schneider. Examination of Substrate Binding in Thiamin Diphosphate-Dependent Transketolase By Protein Crystallography and Site-Directed Mutagenesis. J.Biol.Chem. V. 272 1864 1997.
ISSN: ISSN 0021-9258
PubMed: 8999873
DOI: 10.1074/JBC.272.3.1864