Magnesium in PDB 6p4u: The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO1 Serine Module in Complex with Mg and Amp

The structure of The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO1 Serine Module in Complex with Mg and Amp, PDB code: 6p4u 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)	46.08 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	154.232, 90.828, 98.463, 90.00, 106.10, 90.00
R / Rfree (%)	20.8 / 23.7

The structure of The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO1 Serine Module in Complex with Mg and Amp also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

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 and Amp (pdb code 6p4u). 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 and Amp, PDB code: 6p4u:

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 and Amp


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 and Amp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg3102 b:39.5 occ:1.00 O A:GLY2894 2.0 43.1 1.0 O A:HOH3224 2.1 41.1 1.0 O A:HOH3201 2.1 33.2 1.0 O2P A:AMP3101 2.1 57.8 1.0 O A:VAL2900 2.2 44.3 1.0 O A:HOH3251 2.2 39.9 1.0 C A:GLY2894 3.1 39.2 1.0 C A:VAL2900 3.3 43.4 1.0 P A:AMP3101 3.3 76.0 1.0 OD1 A:ASP2901 3.6 56.0 1.0 O1P A:AMP3101 3.6 68.4 1.0 O A:HOH3221 3.7 40.1 1.0 CA A:GLY2894 3.9 42.4 1.0 O5' A:AMP3101 3.9 83.4 1.0 CA A:VAL2900 4.0 43.6 1.0 N A:GLY2894 4.0 39.4 1.0 N A:PRO2895 4.1 40.5 1.0 OD1 A:ASP2798 4.2 43.3 1.0 CA A:PRO2895 4.3 33.7 1.0 CG A:ASP2901 4.3 57.2 1.0 C A:PRO2895 4.4 38.1 1.0 OD2 A:ASP2798 4.4 41.1 1.0 N A:ASP2901 4.4 35.1 1.0 O A:PRO2895 4.5 42.4 1.0 O3P A:AMP3101 4.6 87.5 1.0 CA A:ASP2901 4.7 44.1 1.0 C8 A:AMP3101 4.7 68.4 1.0 CG A:ASP2798 4.7 49.9 1.0 O A:HOH3206 4.8 59.1 1.0 CG1 A:VAL2900 4.8 44.8 1.0 O A:HOH3284 4.8 36.6 1.0 N7 A:AMP3101 4.8 58.9 1.0 N A:THR2896 4.9 41.0 1.0 OD2 A:ASP2901 4.9 61.8 1.0 C A:TYR2893 4.9 33.2 1.0 N A:VAL2900 4.9 39.6 1.0

K.Tan, M.Zhou, R.Jedrzejczak, G.Babnigg, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). The Structure of Condensation and Adenylation Domains of Teixobactin-Producing Nonribosomal Peptide Synthetase TXO1 Serine Module in Complex with Mg and Amp To Be Published.