Calcium in PDB 6qxr: 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 8.5 with MN2+ and Coa.

The structure of 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 8.5 with MN2+ and Coa., PDB code: 6qxr 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)	44.75 / 1.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.361, 60.589, 66.365, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 17.9

The structure of 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 8.5 with MN2+ and Coa. also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Calcium atom in the 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 8.5 with MN2+ and Coa. (pdb code 6qxr). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 8.5 with MN2+ and Coa., PDB code: 6qxr:

Calcium binding site 1 out of 1 in the 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 8.5 with MN2+ and Coa.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 8.5 with MN2+ and Coa. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca304 b:21.5 occ:1.00 HE22 A:GLN77 2.4 16.0 1.0 HB2 A:ASP74 2.9 23.5 1.0 H A:LYS75 2.9 17.4 1.0 HG2 A:LYS75 3.0 21.0 1.0 O A:HOH631 3.0 23.8 1.0 O A:HOH606 3.0 17.6 1.0 H A:ASP74 3.1 17.3 1.0 NE2 A:GLN77 3.3 13.3 1.0 N A:ASP74 3.6 14.4 1.0 N A:LYS75 3.6 14.5 1.0 CG A:LYS75 3.8 17.5 1.0 CB A:ASP74 3.8 19.6 1.0 HB2 A:LYS75 3.8 20.7 1.0 HE21 A:GLN77 3.8 16.0 1.0 HA3 A:GLY73 3.9 16.1 1.0 HG3 A:LYS75 3.9 21.0 1.0 HZ A:PHE160 3.9 15.1 1.0 OE1 A:GLN77 4.0 14.2 1.0 CD A:GLN77 4.1 13.6 1.0 CA A:ASP74 4.1 15.9 1.0 CB A:LYS75 4.2 17.2 1.0 HB3 A:ASP74 4.3 23.5 1.0 C A:ASP74 4.3 15.2 1.0 C A:GLY73 4.4 15.3 1.0 CA A:GLY73 4.5 13.4 1.0 HZ3 A:LYS75 4.5 32.7 1.0 CA A:LYS75 4.5 15.8 1.0 CG A:ASP74 4.7 29.6 1.0 HA2 A:GLY73 4.7 16.1 1.0 CZ A:PHE160 4.8 12.6 1.0 HE2 A:PHE160 4.8 16.1 1.0 HE2 A:LYS75 4.9 26.3 1.0 OD2 A:ASP74 5.0 31.2 1.0 CD A:LYS75 5.0 20.1 1.0 HA A:ASP74 5.0 19.1 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