Calcium in PDB 2r8o: Transketolase From E. Coli in Complex with Substrate D-Xylulose-5- Phosphate

All present enzymatic activity of Transketolase From E. Coli in Complex with Substrate D-Xylulose-5- Phosphate:
2.2.1.1;

The structure of Transketolase From E. Coli in Complex with Substrate D-Xylulose-5- Phosphate, PDB code: 2r8o was solved by G.Wille, P.Asztalos, M.S.Weiss, K.Tittmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.14 / 1.47
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	90.138, 101.951, 133.258, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 16.4

The binding sites of Calcium atom in the Transketolase From E. Coli in Complex with Substrate D-Xylulose-5- Phosphate (pdb code 2r8o). 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 From E. Coli in Complex with Substrate D-Xylulose-5- Phosphate, PDB code: 2r8o:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Transketolase From E. Coli in Complex with Substrate D-Xylulose-5- Phosphate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Transketolase From E. Coli in Complex with Substrate D-Xylulose-5- Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca670 b:4.8 occ:1.00 O1A A:T5X671 2.2 6.9 1.0 O A:ILE187 2.3 5.5 1.0 O2B A:T5X671 2.3 7.1 1.0 OD2 A:ASP155 2.3 5.5 1.0 OD1 A:ASN185 2.4 5.0 1.0 O A:HOH680 2.4 4.9 1.0 CG A:ASN185 3.3 5.0 1.0 CG A:ASP155 3.4 5.3 1.0 C A:ILE187 3.5 5.2 1.0 PA A:T5X671 3.5 7.5 1.0 PB A:T5X671 3.5 8.0 1.0 ND2 A:ASN185 3.5 6.0 1.0 O3A A:T5X671 3.7 8.9 1.0 CB A:ASP155 3.8 4.7 1.0 N A:ILE187 4.0 5.0 1.0 O1B A:T5X671 4.1 13.4 1.0 N A:ASP155 4.1 4.6 1.0 CA A:ILE187 4.3 5.4 1.0 O7 A:T5X671 4.4 9.9 1.0 O A:HOH793 4.4 8.3 1.0 OD1 A:ASP155 4.4 5.8 1.0 N A:SER188 4.5 5.2 1.0 O A:ASP183 4.5 5.2 1.0 O2A A:T5X671 4.6 10.1 1.0 CA A:ASP155 4.6 4.6 1.0 O3B A:T5X671 4.6 12.3 1.0 CA A:SER188 4.7 5.2 1.0 CB A:ASN185 4.7 4.8 1.0 CB A:ILE187 4.7 5.5 1.0 N A:GLY186 4.8 4.3 1.0 N A:ASN185 4.9 5.1 1.0 C A:ASN185 5.0 4.8 1.0

Calcium binding site 2 out of 2 in the Transketolase From E. Coli in Complex with Substrate D-Xylulose-5- Phosphate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Transketolase From E. Coli in Complex with Substrate D-Xylulose-5- Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca670 b:5.0 occ:1.00 O1A B:T5X671 2.2 7.4 1.0 O2B B:T5X671 2.2 6.7 1.0 O B:ILE187 2.3 6.4 1.0 OD2 B:ASP155 2.3 6.3 1.0 OD1 B:ASN185 2.4 4.7 1.0 O B:HOH730 2.4 5.2 1.0 CG B:ASN185 3.3 5.2 1.0 CG B:ASP155 3.4 6.3 1.0 PA B:T5X671 3.5 7.9 1.0 PB B:T5X671 3.5 8.2 1.0 C B:ILE187 3.5 5.9 1.0 ND2 B:ASN185 3.5 5.9 1.0 O3A B:T5X671 3.7 9.0 1.0 CB B:ASP155 3.8 4.8 1.0 N B:ILE187 4.1 6.0 1.0 N B:ASP155 4.1 4.9 1.0 O1B B:T5X671 4.2 13.0 1.0 CA B:ILE187 4.3 6.5 1.0 O7 B:T5X671 4.4 10.2 1.0 O B:HOH763 4.4 8.6 1.0 OD1 B:ASP155 4.4 6.2 1.0 N B:SER188 4.5 5.7 1.0 O B:ASP183 4.5 6.1 1.0 O2A B:T5X671 4.6 10.5 1.0 CA B:ASP155 4.6 5.1 1.0 O3B B:T5X671 4.6 11.5 1.0 CA B:SER188 4.6 5.7 1.0 CB B:ASN185 4.7 5.4 1.0 CB B:ILE187 4.8 6.8 1.0 N B:GLY186 4.8 5.2 1.0 N B:ASN185 4.9 5.7 1.0

P.Asztalos, C.Parthier, R.Golbik, M.Kleinschmidt, G.Hubner, M.S.Weiss, R.Friedemann, G.Wille, K.Tittmann. Strain and Near Attack Conformers in Enzymic Thiamin Catalysis: X-Ray Crystallographic Snapshots of Bacterial Transketolase in Covalent Complex with Donor Ketoses Xylulose 5-Phosphate and Fructose 6-Phosphate, and in Noncovalent Complex with Acceptor Aldose Ribose 5-Phosphate. Biochemistry V. 46 12037 2007.
ISSN: ISSN 0006-2960
PubMed: 17914867
DOI: 10.1021/BI700844M