Chlorine in PDB 6aoj: Crystal Structure of Legionella Pneumophila Effector CEG4 with N- Terminal Yeast HOG1P Sequence

The structure of Crystal Structure of Legionella Pneumophila Effector CEG4 with N- Terminal Yeast HOG1P Sequence, PDB code: 6aoj was solved by P.J.Stogios, B.Nocek, M.E.Cuff, 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)	32.53 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	78.970, 75.923, 47.911, 90.00, 104.17, 90.00
R / Rfree (%)	16.2 / 19.3

The structure of Crystal Structure of Legionella Pneumophila Effector CEG4 with N- Terminal Yeast HOG1P Sequence also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Legionella Pneumophila Effector CEG4 with N- Terminal Yeast HOG1P Sequence (pdb code 6aoj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Legionella Pneumophila Effector CEG4 with N- Terminal Yeast HOG1P Sequence, PDB code: 6aoj:

Chlorine binding site 1 out of 1 in the Crystal Structure of Legionella Pneumophila Effector CEG4 with N- Terminal Yeast HOG1P Sequence


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Legionella Pneumophila Effector CEG4 with N- Terminal Yeast HOG1P Sequence within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:38.3 occ:1.00 O A:HOH407 3.1 48.7 1.0 O A:HOH515 3.1 34.2 1.0 NZ A:LYS135 3.1 38.0 1.0 N A:LYS104 3.1 31.9 1.0 CE A:LYS135 3.3 40.1 1.0 OD1 A:ASP9 3.3 34.6 1.0 O A:HOH429 3.5 38.4 1.0 CE A:LYS104 3.8 55.2 1.0 CB A:LYS104 3.8 29.6 1.0 CG A:LYS104 3.8 31.3 1.0 C A:THR103 4.0 30.8 1.0 CA A:THR103 4.0 32.5 1.0 CA A:LYS104 4.0 30.3 1.0 O A:HOH439 4.1 35.5 1.0 CD A:LYS104 4.1 43.3 1.0 OD2 A:ASP162 4.5 54.5 1.0 CG A:ASP9 4.5 39.9 1.0 OG1 A:THR103 4.5 33.2 1.0 O A:VAL102 4.6 32.6 1.0 MG A:MG301 4.7 32.7 1.0 CD A:LYS135 4.9 39.1 1.0 CB A:THR103 4.9 34.5 1.0 N A:THR103 5.0 33.9 1.0 C A:LYS104 5.0 33.7 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