Fluorine in PDB 6q1b: Crystal Structure of Oxidized Iodotyrosine Deiodinase (Iyd) Bound to Fmn and 3-Fluoro-L-Tyrosine

All present enzymatic activity of Crystal Structure of Oxidized Iodotyrosine Deiodinase (Iyd) Bound to Fmn and 3-Fluoro-L-Tyrosine:
1.21.1.1;

The structure of Crystal Structure of Oxidized Iodotyrosine Deiodinase (Iyd) Bound to Fmn and 3-Fluoro-L-Tyrosine, PDB code: 6q1b was solved by Z.Sun, J.M.Kavran, S.E.Rokita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.55 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.305, 80.772, 102.076, 90, 90, 90
R / Rfree (%)	16.6 / 20.3

The structure of Crystal Structure of Oxidized Iodotyrosine Deiodinase (Iyd) Bound to Fmn and 3-Fluoro-L-Tyrosine also contains other interesting chemical elements:

Chlorine

(Cl)

5 atoms

The binding sites of Fluorine atom in the Crystal Structure of Oxidized Iodotyrosine Deiodinase (Iyd) Bound to Fmn and 3-Fluoro-L-Tyrosine (pdb code 6q1b). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Oxidized Iodotyrosine Deiodinase (Iyd) Bound to Fmn and 3-Fluoro-L-Tyrosine, PDB code: 6q1b:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Oxidized Iodotyrosine Deiodinase (Iyd) Bound to Fmn and 3-Fluoro-L-Tyrosine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Oxidized Iodotyrosine Deiodinase (Iyd) Bound to Fmn and 3-Fluoro-L-Tyrosine within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:29.1 occ:1.00 F A:YOF302 0.0 29.1 1.0 CE1 A:YOF302 1.3 18.3 1.0 CZ A:YOF302 2.4 11.2 1.0 CD1 A:YOF302 2.4 17.6 1.0 HD2 B:TYR112 2.6 59.8 1.0 HE2 B:TYR112 2.6 65.8 1.0 H B:MET41 2.7 17.1 1.0 OH A:YOF302 2.7 15.0 1.0 HA2 B:GLY40 2.9 19.7 1.0 CE2 B:TYR112 3.1 54.8 1.0 CD2 B:TYR112 3.1 49.8 1.0 HA3 B:GLY40 3.2 19.7 1.0 N B:MET41 3.3 14.3 1.0 CA B:GLY40 3.4 16.4 1.0 HB2 B:PRO111 3.5 47.6 1.0 CE2 A:YOF302 3.6 12.3 1.0 CG A:YOF302 3.6 13.1 1.0 C B:GLY40 3.7 14.1 1.0 N5 A:FMN301 3.8 17.1 1.0 HB3 B:MET41 3.8 29.5 1.0 HD11 A:LEU79 3.9 25.8 1.0 C5A A:FMN301 4.1 14.2 1.0 CD2 A:YOF302 4.1 12.6 1.0 HD13 A:LEU79 4.1 25.8 1.0 C4A A:FMN301 4.2 12.8 1.0 HB3 B:PRO111 4.3 47.6 1.0 CB B:PRO111 4.3 39.6 1.0 CA B:MET41 4.3 12.8 1.0 HA B:MET41 4.4 15.4 1.0 H6 A:FMN301 4.4 15.1 1.0 C6 A:FMN301 4.4 12.5 1.0 CZ B:TYR112 4.5 67.6 1.0 CG B:TYR112 4.5 35.8 1.0 CD1 A:LEU79 4.5 21.5 1.0 CB B:MET41 4.5 24.6 1.0 C9A A:FMN301 4.6 13.5 1.0 HB2 B:TYR112 4.6 29.7 1.0 HD21 A:LEU79 4.6 31.2 1.0 C4 A:FMN301 4.6 12.5 1.0 HG2 B:PRO111 4.6 53.7 1.0 HG2 B:MET41 4.7 38.5 1.0 C10 A:FMN301 4.7 12.4 1.0 O4 A:FMN301 4.7 14.5 1.0 N B:GLY40 4.8 13.4 1.0 HG1 A:THR139 4.8 34.6 1.0 O B:GLY40 4.8 14.2 1.0 N10 A:FMN301 4.8 14.2 1.0 HD22 A:LEU79 4.9 31.2 1.0 CB A:YOF302 4.9 15.9 1.0 H2' A:FMN301 4.9 12.7 1.0 OG1 A:THR139 4.9 28.9 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Oxidized Iodotyrosine Deiodinase (Iyd) Bound to Fmn and 3-Fluoro-L-Tyrosine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Oxidized Iodotyrosine Deiodinase (Iyd) Bound to Fmn and 3-Fluoro-L-Tyrosine within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:24.6 occ:1.00 F B:YOF201 0.0 24.6 1.0 CE1 B:YOF201 1.3 19.0 1.0 CZ B:YOF201 2.3 12.1 1.0 CD1 B:YOF201 2.4 18.2 1.0 HD2 A:TYR112 2.7 52.5 1.0 OH B:YOF201 2.7 12.9 1.0 HE2 A:TYR112 2.8 64.2 1.0 H A:MET41 2.8 16.4 1.0 HA2 A:GLY40 2.8 14.2 1.0 HA3 A:GLY40 3.3 14.2 1.0 HB2 A:PRO111 3.3 24.2 1.0 CD2 A:TYR112 3.3 43.8 1.0 CE2 A:TYR112 3.3 53.5 1.0 N A:MET41 3.3 13.7 1.0 CA A:GLY40 3.4 11.9 1.0 CG B:YOF201 3.6 13.8 1.0 CE2 B:YOF201 3.6 12.6 1.0 C A:GLY40 3.8 11.6 1.0 CG A:MET41 3.8 40.1 1.0 N5 B:FMN202 3.8 17.3 1.0 HG2 A:PRO111 3.8 29.7 1.0 C5A B:FMN202 4.1 14.0 1.0 CD2 B:YOF201 4.1 11.0 1.0 CB A:PRO111 4.1 20.1 1.0 C4A B:FMN202 4.1 11.7 1.0 H6 B:FMN202 4.3 19.0 1.0 CG A:PRO111 4.3 24.7 1.0 HG3 A:PRO111 4.3 29.7 1.0 CA A:MET41 4.3 16.6 1.0 HA A:MET41 4.4 19.9 1.0 C6 B:FMN202 4.4 15.8 1.0 HB3 A:PRO111 4.5 24.2 1.0 CB A:MET41 4.5 22.7 1.0 C9A B:FMN202 4.6 11.8 1.0 CG A:TYR112 4.6 31.2 1.0 C4 B:FMN202 4.6 13.7 1.0 C10 B:FMN202 4.6 12.8 1.0 CZ A:TYR112 4.6 69.5 1.0 HB2 A:TYR112 4.7 22.8 1.0 O4 B:FMN202 4.7 15.6 1.0 N A:GLY40 4.7 12.0 1.0 HG1 B:THR139 4.7 31.5 1.0 O A:HOH540 4.8 32.1 1.0 HH A:TYR112 4.8 109.9 1.0 H2' B:FMN202 4.8 16.5 1.0 CB B:YOF201 4.8 18.1 1.0 N10 B:FMN202 4.8 11.8 1.0 O A:GLY40 4.8 14.0 1.0 OG1 B:THR139 4.9 26.2 1.0 CE A:MET41 4.9 35.4 1.0 O A:PRO111 4.9 16.9 1.0

Z.Sun, J.M.Kavran, S.E.Rokita. Crystal Structure of Oxidized Tn Iyd Bound to Fmn and 3-Fluoro-L-Tyrosine To Be Published.