Iodine in PDB 6q1l: Crystal Structure of Oxidized Iodotyrosine Deiodinase (Iyd) Bound to Fmn and 3-Iodo-L-Tyrosine

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

The structure of Crystal Structure of Oxidized Iodotyrosine Deiodinase (Iyd) Bound to Fmn and 3-Iodo-L-Tyrosine, PDB code: 6q1l 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)	37.91 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.861, 81.232, 103.9, 90, 90, 90
R / Rfree (%)	16.5 / 19.6

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

Chlorine

(Cl)

6 atoms

The binding sites of Iodine atom in the Crystal Structure of Oxidized Iodotyrosine Deiodinase (Iyd) Bound to Fmn and 3-Iodo-L-Tyrosine (pdb code 6q1l). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Crystal Structure of Oxidized Iodotyrosine Deiodinase (Iyd) Bound to Fmn and 3-Iodo-L-Tyrosine, PDB code: 6q1l:
Jump to Iodine binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Oxidized Iodotyrosine Deiodinase (Iyd) Bound to Fmn and 3-Iodo-L-Tyrosine within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:24.6 occ:1.00 IE A:IYR302 0.0 24.6 1.0 CE A:IYR302 2.0 14.0 1.0 CD A:IYR302 2.9 19.2 1.0 CF A:IYR302 2.9 14.4 1.0 HD A:IYR302 3.0 23.1 1.0 HB2 B:PRO111 3.2 22.9 1.0 HA2 B:GLY40 3.2 20.1 1.0 OF A:IYR302 3.2 18.1 1.0 HA3 B:GLY40 3.3 20.1 1.0 H B:MET41 3.5 15.5 1.0 HD1 B:TYR112 3.5 27.4 1.0 CA B:GLY40 3.6 16.7 1.0 HB2 B:TYR112 3.8 19.6 1.0 N B:MET41 3.9 12.9 1.0 HB3 B:PRO111 3.9 22.9 1.0 CB B:PRO111 3.9 19.1 1.0 N5 A:FMN301 4.0 17.9 1.0 H6 A:FMN301 4.1 17.0 1.0 C B:GLY40 4.1 15.7 1.0 HB2 B:MET41 4.1 26.1 1.0 CD1 B:TYR112 4.2 22.8 1.0 C5A A:FMN301 4.2 14.5 1.0 HD11 A:LEU79 4.2 25.2 1.0 CC A:IYR302 4.2 13.7 1.0 CG A:IYR302 4.2 14.2 1.0 O A:HOH415 4.3 44.6 1.0 C6 A:FMN301 4.3 14.1 1.0 O A:HOH563 4.4 33.6 1.0 HD13 A:LEU79 4.4 25.2 1.0 HD21 A:LEU79 4.4 35.3 1.0 C4A A:FMN301 4.5 13.9 1.0 HG1 A:THR139 4.5 22.4 1.0 HG2 B:PRO111 4.6 39.4 1.0 O B:PRO111 4.6 17.1 1.0 OG1 A:THR139 4.6 18.7 1.0 HD22 A:LEU79 4.7 35.3 1.0 CB B:TYR112 4.7 16.3 1.0 CH A:IYR302 4.7 17.8 1.0 CD1 A:LEU79 4.8 21.0 1.0 CG B:TYR112 4.8 17.4 1.0 C B:PRO111 4.8 16.5 1.0 C9A A:FMN301 4.8 14.1 1.0 CA B:MET41 4.8 13.6 1.0 CG B:PRO111 4.9 32.8 1.0 HE1 B:TYR112 4.9 24.8 1.0 HA B:MET41 4.9 16.3 1.0 CB B:MET41 4.9 21.8 1.0 CE1 B:TYR112 4.9 20.7 1.0 N B:GLY40 5.0 13.3 1.0 CD2 A:LEU79 5.0 29.4 1.0 C4 A:FMN301 5.0 13.9 1.0

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


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of Oxidized Iodotyrosine Deiodinase (Iyd) Bound to Fmn and 3-Iodo-L-Tyrosine within 5.0Å range: probe atom residue distance (Å) B Occ B:I302 b:24.0 occ:1.00 IE B:IYR302 0.0 24.0 1.0 CE B:IYR302 2.0 15.5 1.0 HF B:IYR302 2.8 20.6 1.0 CD B:IYR302 2.9 19.9 1.0 HD B:IYR302 3.0 23.9 1.0 CF B:IYR302 3.0 16.6 1.0 HD2 A:TYR112 3.1 26.3 1.0 HA2 A:GLY40 3.1 15.6 1.0 HB2 A:PRO111 3.2 22.5 1.0 OF B:IYR302 3.3 17.2 1.0 HA3 A:GLY40 3.4 15.6 1.0 H A:MET41 3.5 17.4 1.0 CA A:GLY40 3.7 13.0 1.0 CD2 A:TYR112 3.8 21.9 1.0 N5 B:FMN301 3.8 16.9 1.0 HB2 A:TYR112 3.8 19.4 1.0 HG2 A:PRO111 3.8 25.9 1.0 N A:MET41 3.9 14.5 1.0 C5A B:FMN301 4.0 14.2 1.0 CG A:MET41 4.0 36.3 1.0 H6 B:FMN301 4.1 16.6 1.0 CB A:PRO111 4.1 18.8 1.0 C A:GLY40 4.1 12.1 1.0 C6 B:FMN301 4.2 13.9 1.0 CC B:IYR302 4.2 14.7 1.0 O B:HOH475 4.3 35.2 1.0 CG B:IYR302 4.3 14.5 1.0 HE2 A:TYR112 4.3 30.2 1.0 CG A:PRO111 4.4 21.6 1.0 C4A B:FMN301 4.4 14.7 1.0 HG1 B:THR139 4.4 23.7 1.0 CE2 A:TYR112 4.5 25.2 1.0 OG1 B:THR139 4.5 19.7 1.0 HG3 A:PRO111 4.5 25.9 1.0 O A:PRO111 4.5 15.8 1.0 CG A:TYR112 4.6 17.3 1.0 HB3 A:PRO111 4.6 22.5 1.0 CB A:TYR112 4.6 16.2 1.0 C9A B:FMN301 4.7 12.3 1.0 CE A:MET41 4.8 68.1 1.0 C A:PRO111 4.8 13.0 1.0 CH B:IYR302 4.8 14.1 1.0 O4 B:FMN301 4.9 15.5 1.0 C4 B:FMN301 4.9 15.7 1.0 CA A:MET41 4.9 14.2 1.0 C7 B:FMN301 5.0 11.2 1.0 N A:GLY40 5.0 12.8 1.0 CB A:MET41 5.0 19.3 1.0

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