Iron in PDB 8u42: Ovsa From Halomonas Utahensis, A Selenoxide Synthase Involved in Ovoselenol Biosynthesis

The structure of Ovsa From Halomonas Utahensis, A Selenoxide Synthase Involved in Ovoselenol Biosynthesis, PDB code: 8u42 was solved by K.A.Ireland, K.M.Davis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.71 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	108.22, 115.41, 121.71, 90, 90, 90
R / Rfree (%)	18.3 / 20.9

The structure of Ovsa From Halomonas Utahensis, A Selenoxide Synthase Involved in Ovoselenol Biosynthesis also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Iron atom in the Ovsa From Halomonas Utahensis, A Selenoxide Synthase Involved in Ovoselenol Biosynthesis (pdb code 8u42). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Ovsa From Halomonas Utahensis, A Selenoxide Synthase Involved in Ovoselenol Biosynthesis, PDB code: 8u42:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Ovsa From Halomonas Utahensis, A Selenoxide Synthase Involved in Ovoselenol Biosynthesis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ovsa From Halomonas Utahensis, A Selenoxide Synthase Involved in Ovoselenol Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:27.3 occ:1.00 NE2 A:HIS134 2.2 26.0 1.0 NE2 A:HIS47 2.2 29.2 1.0 O A:HOH898 2.3 26.0 1.0 O A:HOH636 2.3 32.5 1.0 NE2 A:HIS130 2.4 26.3 1.0 O A:HOH919 2.6 27.0 1.0 CE1 A:HIS134 3.1 25.7 1.0 CD2 A:HIS47 3.2 21.2 1.0 CD2 A:HIS134 3.2 24.2 1.0 CE1 A:HIS47 3.2 27.1 1.0 CD2 A:HIS130 3.3 20.8 1.0 CE1 A:HIS130 3.4 24.0 1.0 O A:HOH954 4.1 43.2 1.0 OG A:SER76 4.1 28.4 1.0 O A:HOH672 4.2 34.0 1.0 ND1 A:HIS134 4.3 26.5 1.0 ND1 A:HIS47 4.3 26.0 1.0 CG A:HIS47 4.3 25.8 1.0 CG A:HIS134 4.4 23.9 1.0 CG A:HIS130 4.4 23.4 1.0 ND1 A:HIS130 4.5 22.4 1.0 CB A:SER76 4.6 35.8 1.0

Iron binding site 2 out of 2 in the Ovsa From Halomonas Utahensis, A Selenoxide Synthase Involved in Ovoselenol Biosynthesis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ovsa From Halomonas Utahensis, A Selenoxide Synthase Involved in Ovoselenol Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:32.2 occ:1.00 NE2 B:HIS130 2.2 34.5 1.0 NE2 B:HIS47 2.2 35.3 1.0 NE2 B:HIS134 2.3 35.4 1.0 O B:HOH805 2.4 32.9 1.0 O B:HOH818 2.4 32.8 1.0 O B:HOH683 2.9 31.1 1.0 CE1 B:HIS134 3.1 34.4 1.0 CD2 B:HIS47 3.2 34.6 1.0 CD2 B:HIS130 3.2 33.8 1.0 CE1 B:HIS130 3.2 34.6 1.0 CE1 B:HIS47 3.2 33.7 1.0 CD2 B:HIS134 3.3 32.6 1.0 O B:HOH832 4.1 41.5 1.0 O B:HOH649 4.2 37.8 1.0 OG B:SER76 4.3 36.5 1.0 ND1 B:HIS134 4.3 33.1 1.0 ND1 B:HIS130 4.3 33.3 1.0 CG B:HIS47 4.3 36.0 1.0 ND1 B:HIS47 4.3 31.3 1.0 CG B:HIS130 4.3 36.6 1.0 CG B:HIS134 4.4 34.9 1.0 CB B:SER76 4.6 38.4 1.0 OH B:TYR398 5.0 33.8 1.0

C.M.Kayrouz, K.A.Ireland, V.Y.Ying, K.M.Davis, M.R.Seyedsayamdost. Discovery of the Selenium-Containing Antioxidant Ovoselenol Derived From Convergent Evolution Nat.Chem. 2024.
ISSN: ESSN 1755-4349