Chlorine in PDB 7pxy: Crystal Structure of Arabidopsis Thaliana 5-Enol-Pyruvyl-Shikimate-3- Phosphate Synthase (Epsps) in Open Conformation

Enzymatic activity of Crystal Structure of Arabidopsis Thaliana 5-Enol-Pyruvyl-Shikimate-3- Phosphate Synthase (Epsps) in Open Conformation

All present enzymatic activity of Crystal Structure of Arabidopsis Thaliana 5-Enol-Pyruvyl-Shikimate-3- Phosphate Synthase (Epsps) in Open Conformation:
2.5.1.19;

Protein crystallography data

The structure of Crystal Structure of Arabidopsis Thaliana 5-Enol-Pyruvyl-Shikimate-3- Phosphate Synthase (Epsps) in Open Conformation, PDB code: 7pxy was solved by M.Ruszkowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.08 / 1.40
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 108.41, 108.41, 156.81, 90, 90, 90
R / Rfree (%) 15.2 / 19

Other elements in 7pxy:

The structure of Crystal Structure of Arabidopsis Thaliana 5-Enol-Pyruvyl-Shikimate-3- Phosphate Synthase (Epsps) in Open Conformation also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Arabidopsis Thaliana 5-Enol-Pyruvyl-Shikimate-3- Phosphate Synthase (Epsps) in Open Conformation (pdb code 7pxy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Arabidopsis Thaliana 5-Enol-Pyruvyl-Shikimate-3- Phosphate Synthase (Epsps) in Open Conformation, PDB code: 7pxy:

Chlorine binding site 1 out of 1 in 7pxy

Go back to Chlorine Binding Sites List in 7pxy
Chlorine binding site 1 out of 1 in the Crystal Structure of Arabidopsis Thaliana 5-Enol-Pyruvyl-Shikimate-3- Phosphate Synthase (Epsps) in Open Conformation


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 Arabidopsis Thaliana 5-Enol-Pyruvyl-Shikimate-3- Phosphate Synthase (Epsps) in Open Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:47.6
occ:1.00
 OG A:SER100 3.1 30.2 1.0
N A:SER100 3.2 23.7 1.0
CB A:SER100 3.4 27.4 1.0
CG A:LYS99 3.6 40.8 1.0
CB A:SER98 3.7 24.3 1.0
OG A:SER98 3.8 24.5 1.0
N A:LYS99 3.9 24.0 1.0
CA A:SER100 3.9 24.6 1.0
O A:HOH947 4.1 32.7 1.0
C A:LYS99 4.3 24.5 1.0
CA A:LYS99 4.4 25.3 1.0
O A:HOH756 4.5 40.0 1.0
C A:SER98 4.5 24.6 1.0
CB A:LYS99 4.6 32.9 1.0
CA A:SER98 4.6 24.7 1.0
CD A:LYS99 4.7 46.4 1.0
CG2 A:THR178 5.0 43.5 1.0

Reference:

M.Ruszkowski, G.Forlani. Deciphering the Structure of Arabidopsis Thaliana 5- Enol -Pyruvyl-Shikimate-3-Phosphate Synthase: An Essential Step Toward the Discovery of Novel Inhibitors to Supersede Glyphosate. Comput Struct Biotechnol J V. 20 1494 2022.
ISSN: ESSN 2001-0370
PubMed: 35422967
DOI: 10.1016/J.CSBJ.2022.03.020
Page generated: Tue Jul 30 02:47:39 2024

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