Fluorine in PDB 5ctj: Structure of A Single Tryptophan Mutant of Acetobacter Aceti Pure Containing 5-Fluorotryptophan

All present enzymatic activity of Structure of A Single Tryptophan Mutant of Acetobacter Aceti Pure Containing 5-Fluorotryptophan:
5.4.99.18;

The structure of Structure of A Single Tryptophan Mutant of Acetobacter Aceti Pure Containing 5-Fluorotryptophan, PDB code: 5ctj was solved by K.L.Sullivan, T.J.Kappock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.67 / 1.93
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	98.764, 98.764, 165.070, 90.00, 90.00, 90.00
R / Rfree (%)	14.1 / 16.9

The structure of Structure of A Single Tryptophan Mutant of Acetobacter Aceti Pure Containing 5-Fluorotryptophan also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Structure of A Single Tryptophan Mutant of Acetobacter Aceti Pure Containing 5-Fluorotryptophan (pdb code 5ctj). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Structure of A Single Tryptophan Mutant of Acetobacter Aceti Pure Containing 5-Fluorotryptophan, PDB code: 5ctj:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Structure of A Single Tryptophan Mutant of Acetobacter Aceti Pure Containing 5-Fluorotryptophan


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of A Single Tryptophan Mutant of Acetobacter Aceti Pure Containing 5-Fluorotryptophan within 5.0Å range: probe atom residue distance (Å) B Occ A:F97 b:41.0 occ:1.00 F A:FTR97 0.0 41.0 1.0 CZ3 A:FTR97 1.3 35.1 1.0 CH2 A:FTR97 2.3 33.9 1.0 CE3 A:FTR97 2.3 25.7 1.0 CE A:MET93 3.3 27.9 1.0 CZ2 A:FTR97 3.6 35.6 1.0 CD2 A:FTR97 3.6 24.8 1.0 CB A:MET93 3.9 23.6 1.0 CE2 A:FTR97 4.1 27.5 1.0 O A:MET93 4.1 22.9 1.0 CG A:LEU65 4.3 26.0 1.0 CD2 A:LEU65 4.3 33.0 1.0 CB A:ALA66 4.4 24.1 1.0 CA A:ALA66 4.4 24.1 1.0 N A:ALA66 4.5 22.8 1.0 CG A:MET93 4.5 29.5 1.0 C A:MET93 4.6 22.3 1.0 O A:PRO62 4.6 24.1 1.0 CA A:MET93 4.7 22.8 1.0 SD A:MET93 4.8 31.8 1.0 CB A:LEU65 4.9 22.0 1.0 CG A:FTR97 4.9 28.1 1.0

Fluorine binding site 2 out of 2 in the Structure of A Single Tryptophan Mutant of Acetobacter Aceti Pure Containing 5-Fluorotryptophan


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of A Single Tryptophan Mutant of Acetobacter Aceti Pure Containing 5-Fluorotryptophan within 5.0Å range: probe atom residue distance (Å) B Occ B:F97 b:41.1 occ:1.00 F B:FTR97 0.0 41.1 1.0 CZ3 B:FTR97 1.3 38.2 1.0 CH2 B:FTR97 2.3 31.6 1.0 CE3 B:FTR97 2.3 27.2 1.0 CE B:MET93 3.3 28.9 1.0 CZ2 B:FTR97 3.6 33.9 1.0 CD2 B:FTR97 3.6 25.8 1.0 CB B:MET93 3.9 26.4 1.0 CE2 B:FTR97 4.1 26.2 1.0 O B:MET93 4.1 23.3 1.0 CD2 B:LEU65 4.2 28.6 1.0 CG B:LEU65 4.2 27.3 1.0 CB B:ALA66 4.4 25.1 1.0 CA B:ALA66 4.4 24.5 1.0 N B:ALA66 4.5 23.7 1.0 CG B:MET93 4.6 31.0 1.0 C B:MET93 4.6 23.0 1.0 O B:PRO62 4.6 22.9 1.0 CA B:MET93 4.7 22.0 1.0 SD B:MET93 4.8 33.2 1.0 CB B:LEU65 4.9 23.5 1.0 CG B:FTR97 4.9 25.7 1.0

K.L.Sullivan, S.Tranchimand, T.J.Kappock. Structure of A Single Tryptophan Mutant of Acetobacter Aceti Pure To Be Published.