Magnesium in PDB 6qyf: 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 4.6 with MG2+ and Coa.

The structure of 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 4.6 with MG2+ and Coa., PDB code: 6qyf 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)	28.00 / 1.40
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	63.080, 82.226, 55.996, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 15.8

The binding sites of Magnesium atom in the 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 4.6 with MG2+ and Coa. (pdb code 6qyf). 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 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 4.6 with MG2+ and Coa., PDB code: 6qyf:

Magnesium binding site 1 out of 1 in the 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 4.6 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 4.6 with MG2+ and Coa. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:15.8 occ:1.00 O A:HOH639 2.2 20.0 1.0 O5A A:COA301 2.4 12.4 1.0 O A:ALA112 2.4 11.3 1.0 OD2 A:ASP111 2.5 12.8 1.0 OE2 A:GLU113 2.5 15.5 1.0 O2A A:COA301 3.1 11.6 1.0 HG2 A:GLU113 3.2 15.3 1.0 CG A:ASP111 3.3 12.0 1.0 CD A:GLU113 3.4 14.6 1.0 OD1 A:ASP111 3.5 12.2 1.0 C A:ALA112 3.5 9.8 1.0 HG1 A:THR89 3.6 12.3 1.0 P2A A:COA301 3.6 11.7 1.0 H A:ALA112 3.7 11.1 1.0 CG A:GLU113 3.8 12.7 1.0 O3A A:COA301 3.8 10.9 1.0 OE1 A:GLU153 3.9 13.5 1.0 P1A A:COA301 3.9 10.7 1.0 HA A:GLU113 3.9 11.8 1.0 O A:HOH533 4.0 19.1 1.0 HB A:THR91 4.0 15.2 1.0 OG1 A:THR89 4.0 10.2 1.0 N A:ALA112 4.1 9.2 1.0 N A:GLU113 4.3 10.4 1.0 O1A A:COA301 4.3 11.4 1.0 O A:HOH417 4.3 29.1 1.0 OE1 A:GLU113 4.3 13.7 1.0 CA A:ALA112 4.4 9.1 1.0 CA A:GLU113 4.4 9.8 1.0 HG3 A:GLU113 4.5 15.3 1.0 O4A A:COA301 4.5 13.6 1.0 HA A:ASP111 4.6 11.1 1.0 CD A:GLU153 4.6 11.7 1.0 CB A:ASP111 4.6 11.4 1.0 O A:HOH664 4.7 32.2 1.0 CB A:GLU113 4.7 10.4 1.0 O6A A:COA301 4.7 12.7 1.0 OE2 A:GLU153 4.8 13.6 1.0 C A:ASP111 4.8 9.7 1.0 HB3 A:ALA112 4.8 12.5 1.0 O A:HIS90 4.8 13.3 1.0 HZ1 A:LYS157 4.8 14.1 1.0 CA A:ASP111 4.9 9.2 1.0 O A:HOH494 4.9 25.7 1.0 CB A:THR91 4.9 12.6 1.0 H A:HIS90 5.0 10.9 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