Chlorine 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:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Legionella Pneumophila Effector CEG4 with N- Terminal Tev Protease Cleavage Sequence, PDB code: 6aok:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 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 Chlorine with other atoms in the Cl 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:Cl302 b:23.5 occ:1.00 O A:HOH629 3.1 15.5 1.0 N A:ILE52 3.2 15.5 1.0 CB A:ILE52 3.6 17.8 1.0 CD A:PRO51 3.6 17.0 1.0 CB A:PRO51 3.8 18.5 1.0 CG2 A:ILE52 3.8 17.9 1.0 N A:PRO51 3.9 16.7 1.0 CA A:ILE52 4.0 16.4 1.0 CG A:PRO51 4.0 19.2 1.0 C A:PRO51 4.1 17.3 1.0 CA A:PRO51 4.2 17.4 1.0 CB A:ASP50 4.3 17.6 1.0 C A:ASP50 4.6 15.0 1.0 CG1 A:ILE52 4.9 18.9 1.0 CA A:ASP50 5.0 16.0 1.0

Chlorine binding site 2 out of 2 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 Chlorine with other atoms in the Cl binding site number 2 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:Cl303 b:16.1 occ:1.00 O A:HOH422 3.1 18.3 1.0 O A:HOH534 3.1 12.8 1.0 N A:LYS104 3.1 9.9 1.0 OD1 A:ASP9 3.3 13.0 1.0 NZ A:LYS135 3.3 13.0 1.0 O A:HOH452 3.4 12.6 1.0 CE A:LYS135 3.4 16.3 1.0 CG A:LYS104 3.7 13.6 1.0 CB A:LYS104 3.7 11.5 1.0 CD A:LYS104 3.9 16.8 1.0 C A:THR103 3.9 9.7 1.0 CA A:THR103 3.9 10.3 1.0 CA A:LYS104 4.0 10.4 1.0 CE A:LYS104 4.1 17.8 1.0 O A:HOH460 4.2 13.6 1.0 CG A:ASP9 4.4 14.3 1.0 OG1 A:THR103 4.4 10.4 1.0 O A:VAL102 4.7 10.3 1.0 MG A:MG301 4.8 12.7 1.0 OD2 A:ASP162 4.8 28.4 1.0 CB A:THR103 4.8 8.6 1.0 NZ A:LYS104 4.9 20.5 1.0 OD2 A:ASP9 4.9 16.4 1.0 O A:HOH611 4.9 29.7 1.0 C A:LYS104 4.9 12.7 1.0 CD A:LYS135 4.9 15.3 1.0 O A:THR103 4.9 12.2 1.0 N A:ASN105 5.0 10.0 1.0 N A:THR103 5.0 10.1 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