Magnesium in PDB 4a0g: Structure of Bifunctional Dapa Aminotransferase-Dtb Synthetase From Arabidopsis Thaliana in Its Apo Form.

The structure of Structure of Bifunctional Dapa Aminotransferase-Dtb Synthetase From Arabidopsis Thaliana in Its Apo Form., PDB code: 4a0g was solved by D.Cobessi, R.Dumas, V.Pautre, C.Meinguet, J.L.Ferrer, C.Alban, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.574 / 2.50
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	79.442, 80.066, 136.939, 99.96, 107.12, 97.25
R / Rfree (%)	17.72 / 23.91

The binding sites of Magnesium atom in the Structure of Bifunctional Dapa Aminotransferase-Dtb Synthetase From Arabidopsis Thaliana in Its Apo Form. (pdb code 4a0g). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Bifunctional Dapa Aminotransferase-Dtb Synthetase From Arabidopsis Thaliana in Its Apo Form., PDB code: 4a0g:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Bifunctional Dapa Aminotransferase-Dtb Synthetase From Arabidopsis Thaliana in Its Apo Form.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Bifunctional Dapa Aminotransferase-Dtb Synthetase From Arabidopsis Thaliana in Its Apo Form. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1814 b:58.5 occ:0.86 O4 B:SO41813 2.1 70.5 0.8 OG1 B:THR29 2.3 56.0 1.0 O B:HOH2004 2.8 28.7 1.0 OE2 B:GLU188 2.8 47.8 1.0 N B:THR29 3.3 26.9 1.0 OD2 B:ASP66 3.3 50.6 1.0 S B:SO41813 3.4 71.6 0.8 CB B:LYS28 3.5 29.6 1.0 CB B:THR29 3.6 45.0 1.0 O2 B:SO41813 3.9 81.5 0.8 O3 B:SO41813 3.9 38.9 0.8 CA B:THR29 3.9 34.4 1.0 CD B:GLU188 3.9 56.9 1.0 CG B:ASP66 4.0 44.5 1.0 O B:HOH2005 4.1 36.6 1.0 C B:LYS28 4.1 42.6 1.0 CE B:LYS28 4.1 34.8 1.0 NZ B:LYS55 4.2 44.0 1.0 CA B:LYS28 4.2 36.4 1.0 CG B:LYS28 4.2 42.1 1.0 N B:LYS28 4.4 38.0 1.0 OD1 B:ASP66 4.4 48.1 1.0 O1 B:SO41813 4.4 32.4 0.8 OE1 B:GLU188 4.7 38.0 1.0 CG2 B:THR29 4.7 50.8 1.0 CD B:LYS28 4.8 34.7 1.0 CG B:GLU188 4.9 42.2 1.0

Magnesium binding site 2 out of 2 in the Structure of Bifunctional Dapa Aminotransferase-Dtb Synthetase From Arabidopsis Thaliana in Its Apo Form.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Bifunctional Dapa Aminotransferase-Dtb Synthetase From Arabidopsis Thaliana in Its Apo Form. within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1810 b:45.1 occ:0.97 O1 D:SO41809 2.2 100.0 0.8 OG1 D:THR29 2.3 40.8 1.0 OD2 D:ASP66 2.8 59.3 1.0 OE2 D:GLU188 3.0 45.1 1.0 O D:HOH2005 3.1 39.6 1.0 S D:SO41809 3.3 70.7 0.8 CG D:ASP66 3.5 54.7 1.0 O4 D:SO41809 3.5 17.6 0.8 OD1 D:ASP66 3.6 57.5 1.0 CB D:THR29 3.7 43.0 1.0 O3 D:SO41809 3.7 74.8 0.8 N D:THR29 3.8 39.0 1.0 NZ D:LYS55 4.0 36.9 1.0 CD D:GLU188 4.2 54.9 1.0 CB D:LYS28 4.2 45.7 1.0 CA D:THR29 4.3 40.9 1.0 O2 D:SO41809 4.4 32.0 0.8 CE D:LYS28 4.5 47.4 1.0 CB D:ASP66 4.7 59.8 1.0 C D:LYS28 4.7 53.3 1.0 CG2 D:THR29 4.8 37.7 1.0 OE1 D:GLU188 4.9 59.9 1.0 CA D:LYS28 4.9 42.9 1.0 N D:LYS28 5.0 42.1 1.0

D.Cobessi, R.Dumas, V.Pautre, C.Meinguet, J.L.Ferrer, C.Alban. Biochemical and Structural Characterization of the Arabidopsis Bifunctional Enzyme Dethiobiotin Synthetase- Diaminopelargonic Acid Aminotransferase: Evidence For Substrate Channeling in Biotin Synthesis. Plant Cell V. 24 1608 2012.
ISSN: ISSN 1040-4651
PubMed: 22547782
DOI: 10.1105/TPC.112.097675