Fluorine in PDB 5nz1: Structure of Transcriptional Regulatory Repressor Protein - Ethr From Mycobacterium Tuberculosis in Complex with Sutezolid

The structure of Structure of Transcriptional Regulatory Repressor Protein - Ethr From Mycobacterium Tuberculosis in Complex with Sutezolid, PDB code: 5nz1 was solved by V.Mendes, M.Blaszczyk, P.O.Nikiforov, T.L.Blundell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	104.44 / 2.33
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	85.858, 144.841, 150.741, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 24.4

The binding sites of Fluorine atom in the Structure of Transcriptional Regulatory Repressor Protein - Ethr From Mycobacterium Tuberculosis in Complex with Sutezolid (pdb code 5nz1). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Structure of Transcriptional Regulatory Repressor Protein - Ethr From Mycobacterium Tuberculosis in Complex with Sutezolid, PDB code: 5nz1:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Structure of Transcriptional Regulatory Repressor Protein - Ethr From Mycobacterium Tuberculosis in Complex with Sutezolid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Transcriptional Regulatory Repressor Protein - Ethr From Mycobacterium Tuberculosis in Complex with Sutezolid within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:0.2 occ:1.00 F24 A:9EN301 0.0 0.2 1.0 C14 A:9EN301 1.4 0.4 1.0 C13 A:9EN301 2.4 0.6 1.0 C15 A:9EN301 2.4 0.1 1.0 N18 A:9EN301 2.8 0.6 1.0 C19 A:9EN301 3.1 0.0 1.0 N A:ILE107 3.1 43.5 1.0 C23 A:9EN301 3.2 0.5 1.0 C A:GLY106 3.3 47.8 1.0 CG1 A:ILE107 3.4 43.5 1.0 C16 A:9EN301 3.6 0.7 1.0 C12 A:9EN301 3.7 0.5 1.0 CA A:ILE107 3.7 46.6 1.0 CA A:GLY106 3.7 41.0 1.0 O A:GLY106 3.7 44.0 1.0 O A:TRP103 3.9 42.9 1.0 CZ3 A:TRP207 4.0 38.3 1.0 CH2 A:TRP207 4.1 45.2 1.0 C17 A:9EN301 4.1 0.8 1.0 CB A:ILE107 4.2 48.2 1.0 C20 A:9EN301 4.4 0.3 1.0 C22 A:9EN301 4.5 0.5 1.0 CD1 A:ILE107 4.6 44.5 1.0 S21 A:9EN301 4.7 0.7 1.0 CE3 A:TRP207 4.7 34.6 1.0 O10 A:9EN301 4.7 0.4 1.0 N A:GLY106 4.7 46.0 1.0 N08 A:9EN301 4.8 0.8 1.0 CZ2 A:TRP207 4.8 44.4 1.0 CE3 A:TRP103 4.9 53.3 1.0 C A:TRP103 4.9 46.1 1.0 CE2 A:PHE110 4.9 64.7 1.0

Fluorine binding site 2 out of 3 in the Structure of Transcriptional Regulatory Repressor Protein - Ethr From Mycobacterium Tuberculosis in Complex with Sutezolid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Transcriptional Regulatory Repressor Protein - Ethr From Mycobacterium Tuberculosis in Complex with Sutezolid within 5.0Å range: probe atom residue distance (Å) B Occ C:F301 b:88.5 occ:1.00 F24 C:9EN301 0.0 88.5 1.0 C14 C:9EN301 1.3 77.7 1.0 C15 C:9EN301 2.3 68.5 1.0 C13 C:9EN301 2.3 76.5 1.0 C19 C:9EN301 2.7 88.9 1.0 N18 C:9EN301 2.7 83.3 1.0 N C:ILE107 3.3 56.3 1.0 C C:GLY106 3.4 52.0 1.0 CG1 C:ILE107 3.5 46.6 1.0 C16 C:9EN301 3.6 68.1 1.0 CA C:GLY106 3.6 49.5 1.0 C12 C:9EN301 3.6 76.7 1.0 O C:TRP103 3.7 50.8 1.0 CZ3 C:TRP207 3.8 45.5 1.0 CA C:ILE107 4.0 55.9 1.0 O C:GLY106 4.0 53.8 1.0 CH2 C:TRP207 4.0 46.0 1.0 C17 C:9EN301 4.0 67.5 1.0 C20 C:9EN301 4.1 96.5 1.0 C23 C:9EN301 4.2 93.1 1.0 CE3 C:TRP103 4.3 53.6 1.0 CB C:ILE107 4.4 52.4 1.0 CE3 C:TRP207 4.5 48.3 1.0 O10 C:9EN301 4.5 90.3 1.0 N C:GLY106 4.5 51.5 1.0 CA C:TRP103 4.5 59.4 1.0 C C:TRP103 4.5 47.4 1.0 CD1 C:ILE107 4.6 47.4 1.0 N08 C:9EN301 4.7 81.8 1.0 CZ2 C:TRP207 4.8 47.1 1.0 CZ3 C:TRP103 4.9 56.3 1.0 CB C:TRP103 5.0 58.1 1.0

Fluorine binding site 3 out of 3 in the Structure of Transcriptional Regulatory Repressor Protein - Ethr From Mycobacterium Tuberculosis in Complex with Sutezolid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Transcriptional Regulatory Repressor Protein - Ethr From Mycobacterium Tuberculosis in Complex with Sutezolid within 5.0Å range: probe atom residue distance (Å) B Occ D:F301 b:0.6 occ:1.00 F24 D:9EN301 0.0 0.6 1.0 C14 D:9EN301 1.4 0.3 1.0 C15 D:9EN301 2.4 0.2 1.0 C13 D:9EN301 2.4 0.8 1.0 N18 D:9EN301 2.8 0.4 1.0 N D:ILE107 3.0 67.4 1.0 C D:GLY106 3.0 77.4 1.0 CA D:GLY106 3.2 65.3 1.0 C19 D:9EN301 3.2 0.5 1.0 C23 D:9EN301 3.4 0.7 1.0 O D:TRP103 3.5 64.0 1.0 C20 D:9EN301 3.6 0.7 1.0 O D:GLY106 3.6 75.4 1.0 CG1 D:ILE107 3.6 64.3 1.0 C16 D:9EN301 3.6 0.8 1.0 C12 D:9EN301 3.7 0.2 1.0 CA D:ILE107 3.7 68.2 1.0 C17 D:9EN301 4.1 0.8 1.0 N D:GLY106 4.2 67.9 1.0 CB D:ILE107 4.3 68.5 1.0 CE3 D:TRP103 4.4 67.2 1.0 C D:TRP103 4.4 65.6 1.0 CA D:TRP103 4.5 76.9 1.0 CZ3 D:TRP207 4.5 65.5 1.0 C22 D:9EN301 4.6 0.6 1.0 S21 D:9EN301 4.7 0.4 1.0 CD1 D:ILE107 4.8 66.3 1.0 CH2 D:TRP207 4.9 66.5 1.0 N08 D:9EN301 4.9 0.8 1.0 O D:MET102 4.9 92.4 1.0 O10 D:9EN301 4.9 0.1 1.0 CE3 D:TRP207 5.0 67.2 1.0

P.O.Nikiforov, M.Blaszczyk, V.Mendes, H.I.Boshoff, C.E.Barry, T.L.Blundell, C.Abell. The Antibiotics Linezolid and Sutezolid Are Ligands For Mycobacterium Tuberculosis Ethr To Be Published.