Iodine in PDB 5krd: Crystal Structure of Haliscomenobacter Hydrossis Iodotyrosine Deiodinase (Iyd) Bound to Fmn and 2-Iodophenol (2IP)

The structure of Crystal Structure of Haliscomenobacter Hydrossis Iodotyrosine Deiodinase (Iyd) Bound to Fmn and 2-Iodophenol (2IP), PDB code: 5krd was solved by N.Ingavat, J.M.Kavran, Z.Sun, S.Rokita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.99 / 2.10
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	155.049, 155.049, 89.005, 90.00, 90.00, 120.00
R / Rfree (%)	17.7 / 22.1

The binding sites of Iodine atom in the Crystal Structure of Haliscomenobacter Hydrossis Iodotyrosine Deiodinase (Iyd) Bound to Fmn and 2-Iodophenol (2IP) (pdb code 5krd). 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 Haliscomenobacter Hydrossis Iodotyrosine Deiodinase (Iyd) Bound to Fmn and 2-Iodophenol (2IP), PDB code: 5krd:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Crystal Structure of Haliscomenobacter Hydrossis Iodotyrosine Deiodinase (Iyd) Bound to Fmn and 2-Iodophenol (2IP)


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 Haliscomenobacter Hydrossis Iodotyrosine Deiodinase (Iyd) Bound to Fmn and 2-Iodophenol (2IP) within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:59.7 occ:0.33 IE A:6X8302 0.0 59.7 0.3 CE A:6X8302 2.0 66.7 1.0 CD A:6X8302 3.0 69.1 1.0 CF A:6X8302 3.0 63.0 1.0 OF A:6X8302 3.1 52.4 1.0 N5 A:FMN301 4.0 44.1 1.0 CG A:6X8302 4.3 65.4 1.0 CC A:6X8302 4.3 67.9 1.0 C5A A:FMN301 4.3 42.4 1.0 C4A A:FMN301 4.4 42.9 1.0 CG2 A:THR173 4.5 51.0 0.5 H6 A:FMN301 4.5 55.0 1.0 C6 A:FMN301 4.6 43.3 1.0 OG1 A:THR173 4.7 50.8 0.5 O4 A:FMN301 4.7 45.0 1.0 C4 A:FMN301 4.8 46.0 1.0 CH A:6X8302 4.8 64.7 1.0 C9A A:FMN301 5.0 41.2 1.0

Iodine binding site 2 out of 2 in the Crystal Structure of Haliscomenobacter Hydrossis Iodotyrosine Deiodinase (Iyd) Bound to Fmn and 2-Iodophenol (2IP)


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 Haliscomenobacter Hydrossis Iodotyrosine Deiodinase (Iyd) Bound to Fmn and 2-Iodophenol (2IP) within 5.0Å range: probe atom residue distance (Å) B Occ B:I302 b:68.7 occ:0.33 IE B:6X8302 0.0 68.7 0.3 CE B:6X8302 2.0 71.9 1.0 CD B:6X8302 2.9 69.8 1.0 CF B:6X8302 3.0 65.5 1.0 OF B:6X8302 3.3 58.2 1.0 N5 B:FMN301 3.9 47.0 1.0 C5A B:FMN301 4.2 50.0 1.0 CC B:6X8302 4.2 68.8 1.0 CG B:6X8302 4.3 67.8 1.0 CG2 B:THR173 4.3 56.0 0.5 C4A B:FMN301 4.3 48.0 1.0 H6 B:FMN301 4.5 51.8 1.0 C6 B:FMN301 4.5 47.1 1.0 OG1 B:THR173 4.6 53.5 0.5 O4 B:FMN301 4.7 49.1 1.0 C4 B:FMN301 4.7 49.8 1.0 CH B:6X8302 4.8 67.8 1.0 C9A B:FMN301 4.9 46.1 1.0 C10 B:FMN301 5.0 45.0 1.0

N.Ingavat, J.M.Kavran, Z.Sun, S.E.Rokita. Active Site Binding Is Not Sufficient For Reductive Deiodination By Iodotyrosine Deiodinase. Biochemistry V. 56 1130 2017.
ISSN: ISSN 1520-4995
PubMed: 28157283
DOI: 10.1021/ACS.BIOCHEM.6B01308