Chlorine in PDB 3ajx: Crystal Structure of 3-Hexulose-6-Phosphate Synthase

All present enzymatic activity of Crystal Structure of 3-Hexulose-6-Phosphate Synthase:
4.1.2.43;

The structure of Crystal Structure of 3-Hexulose-6-Phosphate Synthase, PDB code: 3ajx was solved by A.Kita, I.Orita, H.Yurimoto, N.Kato, Y.Sakai, K.Miki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.04 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.043, 57.354, 113.623, 90.00, 90.69, 90.00
R / Rfree (%)	19.4 / 21.5

The structure of Crystal Structure of 3-Hexulose-6-Phosphate Synthase also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of 3-Hexulose-6-Phosphate Synthase (pdb code 3ajx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of 3-Hexulose-6-Phosphate Synthase, PDB code: 3ajx:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of 3-Hexulose-6-Phosphate Synthase


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 3-Hexulose-6-Phosphate Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl7001 b:20.8 occ:1.00 O A:HOH5518 3.0 22.2 1.0 N A:ASP1053 3.2 16.1 1.0 C A:HIS1051 3.5 16.4 1.0 CA A:HIS1051 3.5 15.0 1.0 CB A:ASP1053 3.7 20.4 1.0 N A:PRO1052 3.7 16.0 1.0 CA A:ASP1053 3.8 17.6 1.0 CD A:PRO1052 3.9 17.9 1.0 CG A:LYS1054 3.9 13.5 1.0 O A:HIS1051 4.0 14.9 1.0 N A:LYS1054 4.0 14.8 1.0 C A:ASP1053 4.0 16.7 1.0 CB A:HIS1051 4.1 15.3 1.0 CG A:PRO1052 4.3 16.6 1.0 C A:PRO1052 4.3 15.5 1.0 OD2 A:ASP1053 4.4 25.3 1.0 CG A:ASP1053 4.4 23.6 1.0 CA A:PRO1052 4.5 17.1 1.0 CB A:LYS1054 4.7 14.3 1.0 O A:ASP1053 4.7 17.6 1.0 ND1 A:HIS1051 4.8 16.6 1.0 N A:HIS1051 4.8 15.6 1.0 CA A:LYS1054 4.9 13.5 1.0 CE A:LYS1054 4.9 14.9 1.0 O A:ALA1050 4.9 16.7 1.0 CG A:HIS1051 4.9 15.6 1.0 CD A:LYS1054 4.9 15.0 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of 3-Hexulose-6-Phosphate Synthase


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 3-Hexulose-6-Phosphate Synthase within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl7002 b:22.4 occ:1.00 OD1 D:ASP4138 2.7 14.8 1.0 O D:HOH5625 2.8 23.8 1.0 O C:HOH5250 2.9 9.8 1.0 N C:GLU3067 3.0 6.1 1.0 N C:GLY3066 3.4 7.8 1.0 CG D:ASP4138 3.5 10.0 1.0 CB C:GLU3067 3.5 7.2 1.0 OD2 D:ASP4138 3.6 7.5 1.0 CA C:GLU3067 3.9 5.2 1.0 CA C:GLY3066 3.9 6.2 1.0 C C:ALA3065 3.9 8.3 1.0 C C:GLY3066 3.9 5.2 1.0 O D:HOH5446 4.0 24.1 1.0 CA C:GLY3094 4.1 7.2 1.0 CA C:ALA3065 4.2 8.0 1.0 O C:SER3090 4.5 8.8 1.0 O C:HOH5118 4.6 15.4 1.0 N C:LEU3068 4.7 6.3 1.0 O C:ALA3065 4.7 8.7 1.0 C C:GLY3094 4.8 6.3 1.0 C C:GLU3067 4.8 6.7 1.0 N C:GLY3094 4.9 7.0 1.0 O C:THR3091 4.9 7.0 1.0 CB D:ASP4138 4.9 9.5 1.0 N C:ALA3065 4.9 7.3 1.0 CA C:THR3091 4.9 8.4 1.0 CG C:GLU3067 4.9 7.8 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of 3-Hexulose-6-Phosphate Synthase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of 3-Hexulose-6-Phosphate Synthase within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl7003 b:18.8 occ:1.00 O C:HOH5159 3.0 19.2 1.0 O C:HOH5772 3.1 30.1 1.0 N C:ASP3053 3.2 14.7 1.0 CB C:ASP3053 3.6 19.1 1.0 C C:HIS3051 3.6 12.4 1.0 CA C:HIS3051 3.6 11.9 1.0 CA C:ASP3053 3.7 15.6 1.0 N C:PRO3052 3.8 12.4 1.0 CD C:PRO3052 3.9 12.5 1.0 C C:ASP3053 3.9 15.7 1.0 CG C:LYS3054 4.0 11.4 1.0 N C:LYS3054 4.0 13.1 1.0 O C:HIS3051 4.1 10.7 1.0 CB C:HIS3051 4.1 11.9 1.0 C C:PRO3052 4.3 13.5 1.0 CG C:PRO3052 4.3 12.9 1.0 CG C:ASP3053 4.4 21.8 1.0 OD2 C:ASP3053 4.4 25.4 1.0 CA C:PRO3052 4.5 13.3 1.0 O C:ASP3053 4.6 17.4 1.0 CB C:LYS3054 4.7 12.3 1.0 CE C:LYS3054 4.7 12.9 1.0 ND1 C:HIS3051 4.8 13.5 1.0 CD C:LYS3054 4.8 12.7 1.0 O C:HOH5440 4.9 25.8 1.0 CA C:LYS3054 4.9 11.6 1.0 N C:HIS3051 4.9 12.0 1.0 O C:ALA3050 4.9 14.0 1.0 CG C:HIS3051 5.0 12.3 1.0

I.Orita, A.Kita, H.Yurimoto, N.Kato, Y.Sakai, K.Miki. Crystal Structure of 3-Hexulose-6-Phosphate Synthase, A Member of the Orotidine 5'-Monophosphate Decarboxylase Suprafamily Proteins V. 78 3488 2010.
ISSN: ISSN 0887-3585
PubMed: 20938979
DOI: 10.1002/PROT.22860