Manganese in PDB 6qxq: 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 7 with MN2+ and Coa.

The structure of 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 7 with MN2+ and Coa., PDB code: 6qxq 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)	41.71 / 1.45
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	62.941, 83.423, 56.130, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 19.5

The binding sites of Manganese atom in the 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 7 with MN2+ and Coa. (pdb code 6qxq). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 7 with MN2+ and Coa., PDB code: 6qxq:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 7 with MN2+ and Coa.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 7 with MN2+ and Coa. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:20.1 occ:1.00 OE1 A:GLU153 2.1 21.6 1.0 OE2 A:GLU113 2.1 20.5 1.0 O A:HOH443 2.3 19.8 1.0 OD1 A:ASP111 2.3 19.0 1.0 O A:HOH429 2.3 24.3 1.0 OD2 A:ASP111 2.3 20.8 1.0 CG A:ASP111 2.6 18.5 1.0 HG2 A:GLU113 3.0 22.8 1.0 CD A:GLU153 3.1 19.8 1.0 CD A:GLU113 3.2 19.9 1.0 OE2 A:GLU153 3.5 24.7 1.0 CG A:GLU113 3.6 19.0 1.0 HE2 A:PHE149 3.7 29.1 1.0 O A:ALA112 3.8 18.4 1.0 O2A A:COA301 3.8 26.4 1.0 HG3 A:GLU113 3.9 22.8 1.0 O A:HOH484 4.0 38.2 1.0 O A:HOH653 4.0 34.9 1.0 HB2 A:GLU153 4.0 21.7 1.0 HA A:CYS150 4.1 19.9 1.0 CB A:ASP111 4.1 17.9 1.0 HB3 A:GLU153 4.2 21.7 1.0 O1A A:COA301 4.2 22.9 1.0 CG A:GLU153 4.3 18.8 1.0 OE1 A:GLU113 4.3 21.7 1.0 HG A:CYS150 4.3 22.6 1.0 O A:HOH613 4.3 38.2 1.0 CB A:GLU153 4.4 18.1 1.0 CE2 A:PHE149 4.4 24.2 1.0 H A:ALA112 4.5 19.0 1.0 HB3 A:ASP111 4.5 21.5 1.0 HB2 A:ASP111 4.6 21.5 1.0 C A:ALA112 4.6 17.0 1.0 HG1 A:THR89 4.6 21.4 1.0 HG3 A:GLU153 4.7 22.6 1.0 P1A A:COA301 4.7 22.1 1.0 HD2 A:PHE149 4.7 27.3 1.0 N A:ALA112 4.8 15.8 1.0 HA A:GLU113 4.8 20.9 1.0 O A:HOH537 4.8 27.7 1.0 HA A:ASP111 4.8 18.1 1.0 CB A:GLU113 4.9 20.6 1.0 CD2 A:PHE149 4.9 22.7 1.0 CA A:ASP111 4.9 15.1 1.0 HG2 A:GLU153 5.0 22.6 1.0

Manganese binding site 2 out of 2 in the 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 7 with MN2+ and Coa.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 7 with MN2+ and Coa. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn303 b:20.2 occ:1.00 O A:HOH528 2.0 28.4 1.0 O3A A:COA301 2.0 30.8 1.0 O A:HIS90 2.1 18.8 1.0 O A:HOH537 2.1 27.7 1.0 ND1 A:HIS90 2.3 17.5 1.0 O A:HOH591 2.3 33.5 1.0 CE1 A:HIS90 3.1 19.4 1.0 H A:HIS90 3.1 19.9 1.0 C A:HIS90 3.2 16.8 1.0 HE1 A:HIS90 3.2 23.2 1.0 CG A:HIS90 3.4 15.0 1.0 P1A A:COA301 3.4 22.1 1.0 H51A A:COA301 3.6 24.3 1.0 CA A:HIS90 3.7 15.0 1.0 N A:HIS90 3.7 16.5 1.0 HB2 A:HIS90 3.7 18.4 1.0 CB A:HIS90 3.8 15.3 1.0 O1A A:COA301 3.9 22.9 1.0 O A:HOH703 4.1 44.5 1.0 HA A:THR91 4.1 23.4 1.0 OE2 A:GLU48 4.2 22.1 1.0 O A:HOH414 4.2 46.5 1.0 N A:THR91 4.3 17.7 1.0 NE2 A:HIS90 4.3 19.8 1.0 OE1 A:GLU48 4.4 21.4 1.0 O A:HOH613 4.4 38.2 1.0 C5B A:COA301 4.4 20.2 1.0 O2A A:COA301 4.4 26.4 1.0 CD2 A:HIS90 4.4 19.9 1.0 O5B A:COA301 4.4 21.1 1.0 CD A:GLU48 4.4 22.3 1.0 O A:HOH443 4.5 19.8 1.0 HA A:HIS90 4.6 18.0 1.0 CA A:THR91 4.7 19.5 1.0 H52A A:COA301 4.7 24.3 1.0 HB A:THR91 4.8 22.2 1.0 HB3 A:HIS90 4.8 18.4 1.0 O A:HOH551 4.9 27.8 1.0 HA A:THR89 4.9 19.9 1.0 C A:THR89 5.0 17.6 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