Magnesium in PDB 1k3d: Phosphoenolpyruvate Carboxykinase in Complex with Adp and ALF3

All present enzymatic activity of Phosphoenolpyruvate Carboxykinase in Complex with Adp and ALF3:
4.1.1.49;

The structure of Phosphoenolpyruvate Carboxykinase in Complex with Adp and ALF3, PDB code: 1k3d was solved by A.M.Sudom, L.Prasad, H.Goldie, L.T.J.Delbaere, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	126.033, 95.844, 46.608, 90.00, 95.59, 90.00
R / Rfree (%)	19.6 / 26.6

The structure of Phosphoenolpyruvate Carboxykinase in Complex with Adp and ALF3 also contains other interesting chemical elements:

Fluorine	(F)	3 atoms
Aluminium	(Al)	1 atom

The binding sites of Magnesium atom in the Phosphoenolpyruvate Carboxykinase in Complex with Adp and ALF3 (pdb code 1k3d). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Phosphoenolpyruvate Carboxykinase in Complex with Adp and ALF3, PDB code: 1k3d:

Magnesium binding site 1 out of 1 in the Phosphoenolpyruvate Carboxykinase in Complex with Adp and ALF3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Phosphoenolpyruvate Carboxykinase in Complex with Adp and ALF3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg998 b:30.6 occ:1.00 F3 A:AF3999 2.0 38.4 1.0 OG1 A:THR255 2.1 18.6 1.0 O A:HOH708 2.2 23.0 1.0 O A:HOH707 2.2 23.4 1.0 O2B A:ADP541 2.3 28.5 1.0 O A:HOH706 2.5 36.0 1.0 CB A:THR255 3.2 17.2 1.0 OD1 A:ASP268 3.5 13.2 1.0 PB A:ADP541 3.5 21.9 1.0 O A:TYR286 3.8 16.8 1.0 AL A:AF3999 3.8 33.3 1.0 O2A A:ADP541 3.8 26.4 1.0 O3B A:ADP541 3.9 29.7 1.0 O A:ASP268 4.1 11.7 1.0 N A:THR255 4.1 16.1 1.0 CG2 A:THR255 4.2 13.4 1.0 CA A:THR255 4.2 17.2 1.0 NH1 A:ARG333 4.3 19.4 1.0 OD2 A:ASP269 4.3 16.7 1.0 O3A A:ADP541 4.4 20.7 1.0 PA A:ADP541 4.4 27.6 1.0 CG A:ASP268 4.4 10.9 1.0 O1B A:ADP541 4.7 25.3 1.0 C A:TYR286 4.7 19.0 1.0 O1A A:ADP541 4.7 24.3 1.0 F2 A:AF3999 4.8 31.0 1.0 CB A:ASP269 4.9 15.8 1.0 CG A:ASP269 4.9 15.3 1.0 O A:HOH749 4.9 70.1 1.0 CB A:LYS254 5.0 11.6 1.0 C A:ASP268 5.0 12.0 1.0

A.M.Sudom, L.Prasad, H.Goldie, L.T.Delbaere. The Phosphoryl-Transfer Mechanism of Escherichia Coli Phosphoenolpyruvate Carboxykinase From the Use of Alf(3). J.Mol.Biol. V. 314 83 2001.
ISSN: ISSN 0022-2836
PubMed: 11724534
DOI: 10.1006/JMBI.2001.5120