Chlorine in PDB 3re3: Crystal Structure of 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Francisella Tularensis

All present enzymatic activity of Crystal Structure of 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Francisella Tularensis:
4.6.1.12;

The structure of Crystal Structure of 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Francisella Tularensis, PDB code: 3re3 was solved by Y.Kim, M.Makowska-Grzyska, K.Kwon, W.F.Anderson, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.62 / 2.65
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	96.116, 96.116, 155.308, 90.00, 90.00, 120.00
R / Rfree (%)	17.3 / 22.7

The structure of Crystal Structure of 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Francisella Tularensis also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Francisella Tularensis (pdb code 3re3). 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 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Francisella Tularensis, PDB code: 3re3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Francisella Tularensis


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 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Francisella Tularensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl160 b:31.7 occ:0.33 O4 A:PO4161 2.6 63.8 0.3 NH2 A:ARG145 2.9 54.9 1.0 NH1 A:ARG145 3.2 53.5 1.0 CZ A:ARG145 3.5 49.3 1.0 CA A:GLY141 3.6 44.5 1.0 P A:PO4161 3.9 58.5 0.3 C A:GLY141 4.2 44.8 1.0 N A:PHE142 4.2 44.5 1.0 O2 A:PO4161 4.2 56.6 0.3 N A:GLY141 4.5 40.0 1.0 O A:HOH162 4.5 46.0 1.0 O1 A:PO4161 4.8 56.6 0.3 NE A:ARG145 4.8 41.6 1.0 O3 A:PO4161 4.9 58.6 0.3

Chlorine binding site 2 out of 2 in the Crystal Structure of 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Francisella Tularensis


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 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Francisella Tularensis within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl160 b:98.7 occ:1.00 O B:HOH168 3.3 62.2 1.0 OD2 D:ASP10 3.3 70.3 1.0 ND1 D:HIS45 4.0 76.8 1.0 CA D:GLY40 4.1 90.6 1.0 C D:GLY40 4.2 92.3 1.0 CG D:ASP10 4.3 70.0 1.0 N D:ASP41 4.5 75.0 1.0 OE2 B:GLU138 4.6 0.4 1.0 OD1 D:ASP10 4.6 81.4 1.0 O D:GLY40 4.6 93.9 1.0 ND1 D:HIS12 4.7 77.8 1.0 O D:VAL11 4.7 61.8 1.0 CG D:HIS45 4.8 63.8 1.0 C D:ASP41 4.8 70.3 1.0 CE1 D:HIS45 4.8 70.6 1.0 CB D:HIS45 4.8 45.5 1.0 CA D:VAL42 4.8 63.5 1.0 N D:VAL42 4.8 63.1 1.0 CB D:HIS12 4.9 51.7 1.0 O D:ASP41 4.9 60.7 1.0

Y.Kim, M.Makowska-Grzyska, K.Kwon, W.F.Anderson, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Francisella Tularensis To Be Published.