Calcium in PDB 1xkv: Crystal Structure of Atp-Dependent Phosphoenolpyruvate Carboxykinase From Thermus Thermophilus HB8

All present enzymatic activity of Crystal Structure of Atp-Dependent Phosphoenolpyruvate Carboxykinase From Thermus Thermophilus HB8:
4.1.1.49;

The structure of Crystal Structure of Atp-Dependent Phosphoenolpyruvate Carboxykinase From Thermus Thermophilus HB8, PDB code: 1xkv was solved by M.Sugahara, N.Kunishima, Riken Structural Genomics/Proteomicsinitiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.93 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.067, 130.548, 174.195, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 21.9

The binding sites of Calcium atom in the Crystal Structure of Atp-Dependent Phosphoenolpyruvate Carboxykinase From Thermus Thermophilus HB8 (pdb code 1xkv). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Atp-Dependent Phosphoenolpyruvate Carboxykinase From Thermus Thermophilus HB8, PDB code: 1xkv:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Atp-Dependent Phosphoenolpyruvate Carboxykinase From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Atp-Dependent Phosphoenolpyruvate Carboxykinase From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2001 b:28.6 occ:1.00 O A:PHE133 2.6 25.8 1.0 O A:ASN131 2.7 25.5 1.0 O A:ARG130 2.8 23.6 1.0 O A:HOH3311 3.0 35.6 1.0 O A:HOH3067 3.1 30.7 1.0 O A:GLY267 3.1 23.5 1.0 C A:ASN131 3.4 24.9 1.0 C A:GLY267 3.7 25.1 1.0 C A:PHE133 3.8 25.5 1.0 CA A:ASN131 3.8 24.2 1.0 C A:ARG130 3.9 22.9 1.0 CB A:PRO323 4.0 24.4 1.0 CA A:GLY267 4.1 24.8 1.0 O A:HOH3073 4.3 39.8 1.0 N A:ASN131 4.3 22.1 1.0 N A:PHE133 4.3 24.3 1.0 CA A:PRO323 4.4 25.9 1.0 N A:MET132 4.4 24.6 1.0 N A:GLY268 4.5 25.2 1.0 C A:MET132 4.6 25.7 1.0 CA A:PHE133 4.6 23.7 1.0 N A:ILE134 4.7 23.0 1.0 CA A:ILE134 4.7 23.3 1.0 N A:LEU135 4.9 23.8 1.0 CG A:LEU135 4.9 31.9 1.0 CA A:GLY268 4.9 26.5 1.0 O A:MET132 5.0 25.6 1.0 N A:GLY267 5.0 24.5 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Atp-Dependent Phosphoenolpyruvate Carboxykinase From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Atp-Dependent Phosphoenolpyruvate Carboxykinase From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2002 b:31.9 occ:1.00 O B:PHE133 2.6 25.9 1.0 O B:ARG130 2.8 25.9 1.0 O B:ASN131 2.9 24.2 1.0 O B:HOH4144 2.9 42.4 1.0 O B:GLY267 3.0 25.1 1.0 O B:HOH4040 3.0 27.4 1.0 C B:ASN131 3.5 24.5 1.0 C B:GLY267 3.7 24.6 1.0 C B:PHE133 3.8 26.9 1.0 O B:HOH4329 3.8 42.0 1.0 CA B:ASN131 3.9 24.2 1.0 C B:ARG130 4.0 24.9 1.0 CB B:PRO323 4.0 23.9 1.0 CA B:GLY267 4.2 23.1 1.0 CA B:PRO323 4.3 24.7 1.0 N B:PHE133 4.4 24.3 1.0 N B:ASN131 4.4 24.1 1.0 N B:MET132 4.5 23.6 1.0 N B:GLY268 4.6 24.3 1.0 CA B:ILE134 4.6 26.8 1.0 N B:ILE134 4.7 26.5 1.0 CA B:PHE133 4.7 25.4 1.0 C B:MET132 4.7 24.2 1.0 N B:LEU135 4.9 26.3 1.0 CG B:LEU135 4.9 34.8 1.0 O B:HOH4194 4.9 46.4 1.0 CA B:GLY268 4.9 26.7 1.0

M.Sugahara, N.Ohshima, Y.Ukita, M.Sugahara, N.Kunishima. Structure of Atp-Dependent Phosphoenolpyruvate Carboxykinase From Thermus Thermophilus HB8 Showing the Structural Basis of Induced Fit and Thermostability. Acta Crystallogr.,Sect.D V. 61 1500 2005.
ISSN: ISSN 0907-4449
PubMed: 16239727
DOI: 10.1107/S090744490502651X