Magnesium in PDB 3eps: The Crystal Structure of Isocitrate Dehydrogenase Kinase/Phosphatase From E. Coli

All present enzymatic activity of The Crystal Structure of Isocitrate Dehydrogenase Kinase/Phosphatase From E. Coli:
2.7.11.5;

The structure of The Crystal Structure of Isocitrate Dehydrogenase Kinase/Phosphatase From E. Coli, PDB code: 3eps was solved by J.Zheng, Z.Jia, Montreal-Kingston Bacterial Structural Genomicsinitiative (Bsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.80
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	124.595, 124.595, 267.635, 90.00, 90.00, 90.00
R / Rfree (%)	23.3 / 26.8

The binding sites of Magnesium atom in the The Crystal Structure of Isocitrate Dehydrogenase Kinase/Phosphatase From E. Coli (pdb code 3eps). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The Crystal Structure of Isocitrate Dehydrogenase Kinase/Phosphatase From E. Coli, PDB code: 3eps:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the The Crystal Structure of Isocitrate Dehydrogenase Kinase/Phosphatase From E. Coli


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structure of Isocitrate Dehydrogenase Kinase/Phosphatase From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1606 b:44.1 occ:1.00 OD1 A:ASN462 2.2 49.1 1.0 O1A A:ATP1605 2.3 53.5 1.0 O2B A:ATP1605 2.4 46.5 1.0 OD1 A:ASP475 2.4 56.2 1.0 CG A:ASN462 3.4 50.7 1.0 PA A:ATP1605 3.6 51.2 1.0 CG A:ASP475 3.6 56.5 1.0 O3G A:ATP1605 3.8 60.6 1.0 PB A:ATP1605 3.8 47.2 1.0 ND2 A:ASN462 4.0 52.9 1.0 O1B A:ATP1605 4.1 57.5 1.0 O3A A:ATP1605 4.1 50.8 1.0 CD A:LYS461 4.3 47.1 1.0 CG A:LYS461 4.4 45.5 1.0 C5' A:ATP1605 4.4 77.1 1.0 O5' A:ATP1605 4.4 77.1 1.0 CE A:LYS461 4.4 47.2 1.0 CB A:ASP475 4.4 48.7 1.0 OD2 A:ASP475 4.5 54.9 1.0 O A:LYS461 4.5 56.4 1.0 CB A:ASN462 4.5 51.5 1.0 CA A:ASN462 4.7 50.8 1.0 O2A A:ATP1605 4.7 51.5 1.0 O3B A:ATP1605 4.8 49.9 1.0 C A:LYS461 4.8 51.1 1.0 PG A:ATP1605 4.8 43.2 1.0 N A:ASN462 4.9 52.4 1.0 NZ A:LYS461 4.9 48.2 1.0

Magnesium binding site 2 out of 2 in the The Crystal Structure of Isocitrate Dehydrogenase Kinase/Phosphatase From E. Coli


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Crystal Structure of Isocitrate Dehydrogenase Kinase/Phosphatase From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1606 b:53.7 occ:1.00 OD1 B:ASN462 2.3 60.0 1.0 O2B B:ATP1605 2.5 63.2 1.0 O1A B:ATP1605 2.5 52.5 1.0 OD1 B:ASP475 2.5 57.1 1.0 CG B:ASN462 3.0 57.5 1.0 ND2 B:ASN462 3.1 56.9 1.0 O3G B:ATP1605 3.6 59.9 1.0 CG B:ASP475 3.7 60.3 1.0 PB B:ATP1605 3.9 64.4 1.0 PA B:ATP1605 3.9 55.9 1.0 O1B B:ATP1605 4.2 69.0 1.0 CE B:LYS461 4.3 43.6 1.0 CD B:LYS461 4.3 41.1 1.0 OD2 B:ASP475 4.4 60.7 1.0 O3A B:ATP1605 4.4 47.7 1.0 CB B:ASN462 4.5 49.4 1.0 CG B:LYS461 4.5 52.1 1.0 CB B:ASP475 4.7 59.5 1.0 NZ B:LYS461 4.8 57.1 1.0 PG B:ATP1605 4.8 59.9 1.0 C5' B:ATP1605 4.8 77.1 1.0 O3B B:ATP1605 4.8 60.1 1.0 O5' B:ATP1605 4.9 77.1 1.0 O2A B:ATP1605 4.9 51.9 1.0 CA B:ASN462 5.0 50.7 1.0

J.Zheng, Z.Jia. Structure of the Bifunctional Isocitrate Dehydrogenase Kinase/Phosphatase. Nature V. 465 961 2010.
ISSN: ISSN 0028-0836
PubMed: 20505668
DOI: 10.1038/NATURE09088