Magnesium in PDB 6aok: Crystal Structure of Legionella Pneumophila Effector CEG4 with N- Terminal Tev Protease Cleavage Sequence

The structure of Crystal Structure of Legionella Pneumophila Effector CEG4 with N- Terminal Tev Protease Cleavage Sequence, PDB code: 6aok was solved by P.J.Stogios, M.E.Cuff, B.Nocek, E.Evdokimova, O.Egorova, V.Yim, R.Di Leo, A.Savchenko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.17 / 1.88
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.035, 48.027, 100.102, 90.00, 90.00, 90.00
R / Rfree (%)	15.6 / 19.8

The structure of Crystal Structure of Legionella Pneumophila Effector CEG4 with N- Terminal Tev Protease Cleavage Sequence also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Legionella Pneumophila Effector CEG4 with N- Terminal Tev Protease Cleavage Sequence (pdb code 6aok). 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 Legionella Pneumophila Effector CEG4 with N- Terminal Tev Protease Cleavage Sequence, PDB code: 6aok:

Magnesium binding site 1 out of 1 in the Crystal Structure of Legionella Pneumophila Effector CEG4 with N- Terminal Tev Protease Cleavage Sequence


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 Legionella Pneumophila Effector CEG4 with N- Terminal Tev Protease Cleavage Sequence within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:12.7 occ:1.00 OD2 A:ASP9 2.0 16.4 1.0 O A:ASP11 2.0 13.7 1.0 O A:HOH534 2.0 12.8 1.0 OD1 A:ASP158 2.1 18.2 1.0 O A:HOH460 2.1 13.6 1.0 O A:HOH424 2.1 14.1 1.0 CG A:ASP9 3.0 14.3 1.0 CG A:ASP158 3.1 19.3 1.0 C A:ASP11 3.3 13.4 1.0 OD2 A:ASP158 3.4 20.5 1.0 OD1 A:ASP9 3.4 13.0 1.0 OD1 A:ASP157 4.1 15.6 1.0 OG1 A:THR13 4.1 15.4 1.0 O A:HOH611 4.2 29.7 1.0 CA A:ASP11 4.2 12.3 1.0 N A:GLY12 4.2 10.9 1.0 CA A:GLY12 4.3 11.8 1.0 N A:ASP11 4.3 9.5 1.0 CB A:ASP9 4.3 12.8 1.0 CB A:ASP11 4.4 11.6 1.0 O A:HOH422 4.4 18.3 1.0 O A:HOH452 4.5 12.6 1.0 C A:GLY12 4.5 13.5 1.0 CB A:ASP158 4.5 15.0 1.0 N A:THR13 4.6 10.8 1.0 N A:ASP158 4.6 12.6 1.0 N A:GLY19 4.8 16.9 1.0 CL A:CL303 4.8 16.1 1.0 N A:SER159 4.9 13.8 1.0 C A:PHE10 4.9 10.4 1.0 CA A:ASP158 5.0 14.0 1.0

A.T.Quaile, P.J.Stogios, O.Egorova, E.Evdokimova, D.Valleau, B.Nocek, P.S.Kompella, S.Peisajovich, A.F.Yakunin, A.W.Ensminger, A.Savchenko. Thelegionella Pneumophilaeffector CEG4 Is A Phosphotyrosine Phosphatase That Attenuates Activation of Eukaryotic Mapk Pathways. J. Biol. Chem. V. 293 3307 2018.
ISSN: ESSN 1083-351X
PubMed: 29301934
DOI: 10.1074/JBC.M117.812727