Chlorine in PDB 6i5x: Crystal Structure of Aspergillus Fumigatus Phosphomannomutase

All present enzymatic activity of Crystal Structure of Aspergillus Fumigatus Phosphomannomutase:
5.4.2.8;

The structure of Crystal Structure of Aspergillus Fumigatus Phosphomannomutase, PDB code: 6i5x was solved by Y.Zhang, O.G.Raimi, A.T.Ferenbach, D.M.F.Van Aalten, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.60 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	80.425, 102.024, 137.791, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 24.4

The structure of Crystal Structure of Aspergillus Fumigatus Phosphomannomutase also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Aspergillus Fumigatus Phosphomannomutase (pdb code 6i5x). 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 Aspergillus Fumigatus Phosphomannomutase, PDB code: 6i5x:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Aspergillus Fumigatus Phosphomannomutase


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 Aspergillus Fumigatus Phosphomannomutase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:12.4 occ:1.00 N A:PHE130 3.1 12.1 1.0 N D:PHE130 3.2 11.4 1.0 N A:ILE131 3.6 14.2 1.0 N D:ILE131 3.6 10.7 1.0 CA A:THR129 3.7 13.5 1.0 N A:THR129 3.7 12.8 1.0 CA D:THR129 3.8 15.3 1.0 C A:THR129 3.8 12.4 1.0 CD2 A:PHE130 3.8 11.9 1.0 C D:THR129 3.9 13.3 1.0 CD2 D:PHE130 3.9 10.6 1.0 N D:THR129 3.9 14.6 1.0 CA A:PHE130 3.9 12.4 1.0 CB D:PHE130 3.9 11.1 1.0 CB A:PHE130 4.0 12.0 1.0 O A:ILE131 4.0 14.3 1.0 CA D:PHE130 4.0 11.3 1.0 O D:ILE131 4.0 11.2 1.0 C A:PHE130 4.2 13.0 1.0 C D:PHE130 4.3 11.0 1.0 CG A:PHE130 4.4 12.0 1.0 CG D:PHE130 4.4 11.3 1.0 CA D:ILE131 4.5 11.1 1.0 CA A:ILE131 4.6 14.7 1.0 CB D:ILE131 4.6 11.0 1.0 C D:ILE131 4.7 11.0 1.0 C A:ILE131 4.7 14.7 1.0 CB A:ILE131 4.7 14.5 1.0 O A:HOH417 4.9 28.5 1.0 CE2 A:PHE130 4.9 12.4 1.0 O A:THR129 4.9 9.6 1.0 C A:GLY128 5.0 11.3 1.0 CE2 D:PHE130 5.0 11.0 1.0 O D:THR129 5.0 10.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Aspergillus Fumigatus Phosphomannomutase


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 Aspergillus Fumigatus Phosphomannomutase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:11.4 occ:1.00 N C:PHE130 3.2 11.7 1.0 N B:PHE130 3.2 12.2 1.0 N C:ILE131 3.5 12.1 1.0 N B:ILE131 3.5 11.9 1.0 CA C:THR129 3.6 16.0 1.0 CA B:THR129 3.7 15.9 1.0 C C:THR129 3.8 13.4 1.0 N C:THR129 3.8 15.0 1.0 C B:THR129 3.9 13.6 1.0 O B:ILE131 3.9 12.7 1.0 N B:THR129 3.9 13.9 1.0 O C:ILE131 4.0 14.5 1.0 CD2 B:PHE130 4.0 11.6 1.0 CA B:PHE130 4.0 12.3 1.0 CB B:PHE130 4.0 12.2 1.0 CA C:PHE130 4.0 11.6 1.0 CD2 C:PHE130 4.0 11.5 1.0 CB C:PHE130 4.1 11.3 1.0 C B:PHE130 4.2 11.2 1.0 C C:PHE130 4.3 11.5 1.0 CA C:ILE131 4.5 12.6 1.0 CA B:ILE131 4.5 12.7 1.0 CG B:PHE130 4.5 12.4 1.0 CG C:PHE130 4.5 11.4 1.0 CB B:ILE131 4.6 13.3 1.0 CB C:THR129 4.6 19.6 1.0 CB C:ILE131 4.6 12.8 1.0 C B:ILE131 4.6 12.9 1.0 C C:ILE131 4.6 13.1 1.0 OG1 C:THR129 4.7 28.1 1.0 CB B:THR129 4.9 19.6 1.0 O C:THR129 4.9 12.1 1.0 O B:THR129 5.0 11.6 1.0

Y.Zhang, O.G.Raimi, A.T.Ferenbach, D.M.F.Van Aalten. Crystal Structure of Aspergillus Fumigatus Phosphomannomutase To Be Published.