Magnesium in PDB 4qjl: Crystal Structure of M. Ulcerans Phosphopantetheinyl Transferase Muppt

All present enzymatic activity of Crystal Structure of M. Ulcerans Phosphopantetheinyl Transferase Muppt:
2.7.8.7;

The structure of Crystal Structure of M. Ulcerans Phosphopantetheinyl Transferase Muppt, PDB code: 4qjl was solved by J.P.Noel, M.D.Burkart, C.R.Vickery, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.24 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.020, 59.750, 74.480, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 20.8

The binding sites of Magnesium atom in the Crystal Structure of M. Ulcerans Phosphopantetheinyl Transferase Muppt (pdb code 4qjl). 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 Crystal Structure of M. Ulcerans Phosphopantetheinyl Transferase Muppt, PDB code: 4qjl:

Magnesium binding site 1 out of 1 in the Crystal Structure of M. Ulcerans Phosphopantetheinyl Transferase Muppt


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of M. Ulcerans Phosphopantetheinyl Transferase Muppt within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:14.0 occ:1.00 OE2 A:GLU116 2.3 15.5 1.0 O4A A:COA301 2.3 10.1 1.0 O A:ALA115 2.4 8.1 1.0 O A:HOH405 2.4 14.6 1.0 OD1 A:ASP114 2.5 11.6 1.0 HG2 A:GLU116 3.1 14.9 1.0 CD A:GLU116 3.2 17.8 1.0 O2A A:COA301 3.2 10.6 1.0 CG A:ASP114 3.2 10.9 1.0 OD2 A:ASP114 3.3 12.1 1.0 C A:ALA115 3.4 10.9 1.0 H A:ALA115 3.6 10.9 1.0 OE1 A:GLU157 3.6 12.0 1.0 P2A A:COA301 3.6 11.5 1.0 CG A:GLU116 3.7 12.4 1.0 HG1 A:THR92 3.7 14.2 1.0 HA A:GLU116 3.9 12.0 1.0 O A:HOH408 3.9 10.3 1.0 O3A A:COA301 3.9 10.8 1.0 O A:HOH467 4.0 21.1 1.0 HB3 A:CYS94 4.0 15.3 1.0 N A:ALA115 4.0 9.1 1.0 P1A A:COA301 4.1 10.6 1.0 OE1 A:GLU116 4.1 14.0 1.0 O A:HIS93 4.1 13.3 1.0 OG1 A:THR92 4.1 11.8 1.0 N A:GLU116 4.2 6.6 1.0 HG A:CYS154 4.4 14.4 1.0 CA A:ALA115 4.4 8.8 1.0 CA A:GLU116 4.4 10.0 1.0 HG3 A:GLU116 4.4 14.9 1.0 O5A A:COA301 4.4 11.2 1.0 CD A:GLU157 4.4 9.4 1.0 CB A:ASP114 4.6 7.6 1.0 OE2 A:GLU157 4.6 13.1 1.0 CB A:GLU116 4.6 10.9 1.0 HA A:ASP114 4.7 10.5 1.0 O1A A:COA301 4.7 12.4 1.0 O6A A:COA301 4.8 9.4 1.0 C A:ASP114 4.8 10.6 1.0 HZ3 A:LYS161 4.9 10.7 1.0 HB1 A:ALA115 4.9 11.5 1.0 HB3 A:ASP114 4.9 9.1 1.0 CA A:ASP114 5.0 8.7 1.0 CB A:CYS94 5.0 12.8 1.0 H A:HIS93 5.0 12.2 1.0 H A:GLU116 5.0 7.9 1.0

C.R.Vickery, N.M.Kosa, E.P.Casavant, S.Duan, J.P.Noel, M.D.Burkart. Structure, Biochemistry, and Inhibition of Essential 4'-Phosphopantetheinyl Transferases From Two Species of Mycobacteria. Acs Chem.Biol. V. 9 1939 2014.
ISSN: ISSN 1554-8929
PubMed: 24963544
DOI: 10.1021/CB500263P