Chlorine in PDB 8a29: Apo 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa

All present enzymatic activity of Apo 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa:
2.2.1.7;

The structure of Apo 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa, PDB code: 8a29 was solved by R.Hamid, S.Adam, A.Lacour, L.Monjas, A.Hirsch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.59 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	116.444, 137.631, 232.082, 90, 90, 90
R / Rfree (%)	17.1 / 22.4

The structure of Apo 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa also contains other interesting chemical elements:

Magnesium	(Mg)	13 atoms
Calcium	(Ca)	12 atoms
Sodium	(Na)	5 atoms

The binding sites of Chlorine atom in the Apo 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa (pdb code 8a29). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Apo 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa, PDB code: 8a29:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Apo 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Apo 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl704 b:50.1 occ:1.00 HE2 E:MET562 2.7 25.2 1.0 OE1 A:GLU571 3.1 29.6 1.0 HG2 E:MET562 3.1 24.5 1.0 O A:HOH1118 3.2 36.8 1.0 HB2 A:GLU571 3.2 31.3 1.0 HB3 A:GLU571 3.3 31.3 1.0 CE E:MET562 3.7 21.0 1.0 CB A:GLU571 3.7 26.1 1.0 O A:HOH859 3.7 33.0 1.0 HE3 E:MET562 3.9 25.2 1.0 CG E:MET562 4.0 20.4 1.0 HA A:ALA568 4.1 31.1 1.0 CD A:GLU571 4.1 30.4 1.0 HH12 A:ARG441 4.1 29.8 1.0 HG3 E:MET562 4.2 24.5 1.0 O A:ALA568 4.3 25.1 1.0 HE1 E:MET562 4.3 25.2 1.0 O A:HOH1105 4.4 40.3 1.0 CG A:GLU571 4.4 29.3 1.0 SD E:MET562 4.5 23.6 1.0 O A:HOH884 4.5 23.7 1.0 HB1 A:ALA568 4.5 35.1 1.0 O A:HOH977 4.5 19.2 1.0 HB2 A:PHE572 4.6 32.5 1.0 HH11 A:ARG441 4.6 29.8 1.0 H A:PHE572 4.7 38.4 1.0 NH1 A:ARG441 4.7 24.8 1.0 HG2 A:GLU571 4.7 35.2 1.0 HA E:MET562 4.7 29.4 1.0 N A:PHE572 4.7 32.0 1.0 CA A:ALA568 4.8 25.9 1.0 C A:GLU571 4.9 31.6 1.0 HA A:PHE572 4.9 36.1 1.0 O A:HOH1065 4.9 31.3 1.0 CA A:GLU571 4.9 31.3 1.0

Chlorine binding site 2 out of 2 in the Apo 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Apo 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl705 b:65.1 occ:1.00 HH12 B:ARG145 3.4 33.6 1.0 O B:GLU149 3.6 31.0 1.0 HG22 B:THR152 3.8 26.6 1.0 HA B:THR152 3.8 31.5 1.0 NH1 B:ARG108 3.9 32.8 1.0 HH12 B:ARG108 3.9 39.4 1.0 HH11 B:ARG108 4.0 39.4 1.0 O B:HOH1032 4.0 27.2 1.0 O B:HOH869 4.1 28.9 1.0 NH1 B:ARG145 4.1 28.0 1.0 HA B:GLU149 4.2 38.9 1.0 CZ B:ARG108 4.2 29.8 1.0 HH22 B:ARG145 4.3 35.5 1.0 HB2 B:GLU149 4.4 41.1 1.0 O D:HOH921 4.5 23.8 1.0 HD2 B:ARG108 4.5 30.4 1.0 HH11 B:ARG145 4.5 33.6 1.0 C B:GLU149 4.6 29.1 1.0 NH2 B:ARG108 4.6 27.9 1.0 HH22 B:ARG108 4.6 33.4 1.0 NE B:ARG108 4.7 31.4 1.0 CG2 B:THR152 4.7 22.2 1.0 CA B:THR152 4.7 26.3 1.0 CA B:GLU149 4.8 32.5 1.0 NH2 B:ARG145 4.8 29.6 1.0 HB B:THR152 4.9 32.2 1.0 HB2 B:PRO105 4.9 35.5 1.0 CZ B:ARG145 4.9 29.8 1.0 O B:ASP151 4.9 29.5 1.0

R.Hamid, S.Adam, A.Lacour, L.Monjas, A.Hirsch. Structural Analysis of 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa and Klebsiella Pneumoniae Reveals Conformational Changes Upon Cofactor Binding To Be Published.