Magnesium in PDB 6qyg: 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 8.5 with MG2+ and Coa.

The structure of 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 8.5 with MG2+ and Coa., PDB code: 6qyg was solved by M.C.Nguyen, L.Mourey, J.D.Pedelacq, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.46 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.422, 60.334, 66.078, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 19.6

The binding sites of Magnesium atom in the 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 8.5 with MG2+ and Coa. (pdb code 6qyg). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 8.5 with MG2+ and Coa., PDB code: 6qyg:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 8.5 with MG2+ and Coa.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 8.5 with MG2+ and Coa. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:18.9 occ:1.00 O2A A:COA301 1.9 18.7 1.0 O A:HOH413 2.0 15.8 1.0 OD1 A:ASP111 2.0 15.8 1.0 O A:HOH459 2.1 15.1 1.0 O A:HOH499 2.1 16.0 1.0 OE1 A:GLU153 2.2 23.9 1.0 CG A:ASP111 3.0 16.3 1.0 P1A A:COA301 3.1 17.6 1.0 CD A:GLU153 3.2 24.1 1.0 HG1 A:THR89 3.3 17.8 1.0 OD2 A:ASP111 3.3 17.2 1.0 HZ1 A:LYS157 3.3 18.8 1.0 O5A A:COA301 3.6 58.7 1.0 O3A A:COA301 3.6 18.9 1.0 O1A A:COA301 3.8 15.5 1.0 HB3 A:GLU153 3.9 28.7 1.0 OG1 A:THR89 4.0 14.8 1.0 HG3 A:GLU153 4.0 29.0 1.0 OE2 A:GLU153 4.0 24.3 1.0 OE2 A:GLU113 4.1 19.3 1.0 H A:ALA112 4.1 18.7 1.0 CG A:GLU153 4.1 24.2 1.0 P2A A:COA301 4.1 57.3 1.0 O A:HOH542 4.2 14.1 1.0 NZ A:LYS157 4.2 15.6 1.0 O A:ALA112 4.2 16.1 1.0 HE3 A:LYS157 4.3 18.1 1.0 CB A:ASP111 4.3 15.8 1.0 HZ2 A:LYS157 4.4 18.8 1.0 HE2 A:PHE149 4.4 23.7 1.0 HA A:ASP111 4.4 18.8 1.0 CB A:GLU153 4.4 23.9 1.0 HG2 A:GLU113 4.4 24.5 1.0 O5B A:COA301 4.4 15.8 1.0 HB2 A:GLU153 4.4 28.7 1.0 HB2 A:ASP111 4.5 19.0 1.0 O A:HOH564 4.6 41.2 1.0 CE A:LYS157 4.8 15.0 1.0 N A:ALA112 4.8 15.6 1.0 HZ3 A:LYS157 4.8 18.8 1.0 CA A:ASP111 4.9 15.7 1.0 O A:HOH491 4.9 21.2 1.0 O6A A:COA301 5.0 60.5 1.0 HG2 A:GLU153 5.0 29.0 1.0

Magnesium binding site 2 out of 2 in the 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 8.5 with MG2+ and Coa.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 8.5 with MG2+ and Coa. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:22.6 occ:1.00 O1A A:COA301 2.0 15.5 1.0 O A:HIS90 2.1 16.6 1.0 O A:HOH507 2.1 15.7 1.0 O A:HOH462 2.1 15.8 1.0 O A:HOH542 2.1 14.1 1.0 ND1 A:HIS90 2.3 15.7 1.0 H A:HIS90 3.0 19.7 1.0 CE1 A:HIS90 3.0 15.2 1.0 HE1 A:HIS90 3.1 18.3 1.0 C A:HIS90 3.1 17.0 1.0 P1A A:COA301 3.4 17.6 1.0 CG A:HIS90 3.4 16.0 1.0 O3A A:COA301 3.6 18.9 1.0 N A:HIS90 3.7 16.4 1.0 CA A:HIS90 3.7 16.9 1.0 H52A A:COA301 3.7 19.5 1.0 CB A:HIS90 3.9 16.6 1.0 HB2 A:HIS90 3.9 20.0 1.0 HA A:THR91 4.0 23.6 1.0 O A:HOH406 4.0 38.3 1.0 O A:HOH459 4.1 15.1 1.0 O A:HOH696 4.1 33.8 1.0 O A:HOH499 4.2 16.0 1.0 OE1 A:GLU48 4.2 19.1 1.0 N A:THR91 4.2 19.4 1.0 NE2 A:HIS90 4.2 15.4 1.0 O2A A:COA301 4.3 18.7 1.0 OE2 A:GLU48 4.4 18.9 1.0 O5B A:COA301 4.4 15.8 1.0 CD2 A:HIS90 4.4 15.9 1.0 C5B A:COA301 4.5 16.2 1.0 O A:HOH664 4.5 31.7 1.0 CD A:GLU48 4.5 19.2 1.0 O A:HOH491 4.6 21.2 1.0 H51A A:COA301 4.6 19.5 1.0 CA A:THR91 4.6 19.6 1.0 HA A:HIS90 4.7 20.3 1.0 HA A:THR89 4.8 17.1 1.0 HB A:THR91 4.8 24.1 1.0 HB3 A:HIS90 4.8 20.0 1.0 HG1 A:THR89 4.9 17.8 1.0 C A:THR89 4.9 15.1 1.0 HE2 A:HIS90 5.0 18.4 1.0 H A:THR91 5.0 23.3 1.0

M.C.Nguyen, O.Saurel, C.Carivenc, S.Gavalda, S.Saitta, M.P.Tran, A.Milon, C.Chalut, C.Guilhot, L.Mourey, J.D.Pedelacq. Conformational Flexibility of Coenzyme A and Its Impact on the Post-Translational Modification of Acyl Carrier Proteins By 4'-Phosphopantetheinyl Transferases. Febs J. 2020.
ISSN: ISSN 1742-464X
PubMed: 32128972
DOI: 10.1111/FEBS.15273