Magnesium in PDB 6p3i: The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO1 Serine Module in Complex with Mg

The structure of The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO1 Serine Module in Complex with Mg, PDB code: 6p3i was solved by K.Tan, M.Zhou, R.Jedrzejczak, G.Babnigg, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.33 / 2.15
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	154.491, 90.658, 98.804, 90.00, 106.00, 90.00
R / Rfree (%)	20.1 / 23.1

The binding sites of Magnesium atom in the The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO1 Serine Module in Complex with Mg (pdb code 6p3i). 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 The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO1 Serine Module in Complex with Mg, PDB code: 6p3i:

Magnesium binding site 1 out of 1 in the The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO1 Serine Module in Complex with Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO1 Serine Module in Complex with Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg3101 b:50.5 occ:1.00 O A:HOH3201 2.0 49.9 1.0 O A:GLY2894 2.1 51.3 1.0 O A:HOH3264 2.1 46.2 1.0 O A:VAL2900 2.1 52.8 1.0 O A:HOH3207 2.1 48.2 1.0 O3S A:MES3103 2.2 0.2 1.0 C A:GLY2894 3.2 48.0 1.0 C A:VAL2900 3.3 45.8 1.0 OD1 A:ASP2901 3.3 75.3 1.0 S A:MES3103 3.5 0.8 1.0 O A:HOH3234 3.7 54.3 1.0 O A:HOH3298 3.9 52.7 1.0 O2S A:MES3103 3.9 0.4 1.0 CA A:GLY2894 3.9 48.0 1.0 CA A:VAL2900 3.9 46.3 1.0 N A:GLY2894 4.0 45.3 1.0 CG A:ASP2901 4.1 65.8 1.0 C8 A:MES3103 4.1 0.8 1.0 OD1 A:ASP2798 4.2 60.0 1.0 OD2 A:ASP2798 4.2 54.0 1.0 N A:PRO2895 4.2 45.4 1.0 N A:ASP2901 4.3 37.5 1.0 CA A:PRO2895 4.5 41.0 1.0 C A:PRO2895 4.5 41.4 1.0 OD2 A:ASP2901 4.6 73.7 1.0 CA A:ASP2901 4.6 44.1 1.0 O1S A:MES3103 4.6 0.5 1.0 CG A:ASP2798 4.6 57.8 1.0 O A:PRO2895 4.6 43.0 1.0 C7 A:MES3103 4.7 0.8 1.0 CG1 A:VAL2900 4.7 52.8 1.0 O A:HOH3273 4.8 41.7 1.0 C A:TYR2893 4.8 44.5 1.0 N A:VAL2900 4.9 44.5 1.0 N A:THR2896 5.0 41.0 1.0 CB A:ASP2901 5.0 49.4 1.0 CB A:VAL2900 5.0 46.5 1.0

K.Tan, M.Zhou, R.Jedrzejczak, G.Babnigg, A.Joachimiak. The Structure of Condensation and Adenylation Domains of Teixobactin-Producing Nonribosomal Peptide Synthetase TXO1 Serine Module in Complex with Mg To Be Published.