Chlorine in PDB 4xi1: Crystal Structure of U-Box 2 of Lubx / LEGU2 / LPP2887 From Legionella Pneumophila Str. Paris, Wild-Type

The structure of Crystal Structure of U-Box 2 of Lubx / LEGU2 / LPP2887 From Legionella Pneumophila Str. Paris, Wild-Type, PDB code: 4xi1 was solved by P.J.Stogios, T.Quaile, T.Skarina, M.Cuff, R.Di Leo, V.Yim, A.Savchenko, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.87 / 2.98
Space group	P 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	160.227, 160.227, 160.227, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 21

The binding sites of Chlorine atom in the Crystal Structure of U-Box 2 of Lubx / LEGU2 / LPP2887 From Legionella Pneumophila Str. Paris, Wild-Type (pdb code 4xi1). 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 U-Box 2 of Lubx / LEGU2 / LPP2887 From Legionella Pneumophila Str. Paris, Wild-Type, PDB code: 4xi1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of U-Box 2 of Lubx / LEGU2 / LPP2887 From Legionella Pneumophila Str. Paris, Wild-Type


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 U-Box 2 of Lubx / LEGU2 / LPP2887 From Legionella Pneumophila Str. Paris, Wild-Type within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:75.1 occ:1.00 O A:HOH407 3.0 37.9 1.0 NE2 B:GLN187 3.1 52.6 1.0 NE2 A:GLN187 3.4 65.0 1.0 CD1 B:LEU184 4.0 48.5 1.0 CD1 A:LEU184 4.2 48.5 1.0 CZ B:PHE181 4.2 60.6 1.0 CZ A:PHE181 4.2 60.4 1.0 CD A:GLN187 4.2 65.4 1.0 CD B:GLN187 4.3 57.1 1.0 OE1 A:GLN187 4.3 75.5 1.0 CE2 B:PHE181 4.4 60.5 1.0 CE2 A:PHE181 4.5 60.1 1.0 OE1 B:GLN187 4.7 76.5 1.0 CB A:LEU184 4.8 43.7 1.0 CB B:LEU184 4.9 47.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of U-Box 2 of Lubx / LEGU2 / LPP2887 From Legionella Pneumophila Str. Paris, Wild-Type


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 U-Box 2 of Lubx / LEGU2 / LPP2887 From Legionella Pneumophila Str. Paris, Wild-Type within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl302 b:74.6 occ:0.50 O C:HOH411 3.1 28.9 0.5 NE2 C:GLN187 3.3 69.8 1.0 CD1 C:LEU184 4.1 43.9 1.0 CZ C:PHE181 4.1 57.0 1.0 CD C:GLN187 4.3 67.6 1.0 OE1 C:GLN187 4.5 76.3 1.0 CE2 C:PHE181 4.5 60.2 1.0 CB C:LEU184 4.7 43.5 1.0 CG C:LEU184 4.9 41.9 1.0 CE1 C:PHE181 5.0 52.8 1.0

T.Quaile, M.L.Urbanus, P.J.Stogios, B.Nocek, T.Skarina, A.W.Ensminger, A.Savchenko. Molecular Characterization of Lubx: Functional Divergence of the U-Box Fold By Legionella Pneumophila. To Be Published.