Iron in PDB 8u41: Ovsa From Halomonas Utahensis, An Ovoselenol-Biosynthetic Selenoxide Synthase in Complex with Histidine

The structure of Ovsa From Halomonas Utahensis, An Ovoselenol-Biosynthetic Selenoxide Synthase in Complex with Histidine, PDB code: 8u41 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)	69.34 / 2.72
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	160.129, 160.129, 122.312, 90, 90, 120
R / Rfree (%)	22.5 / 24.6

The structure of Ovsa From Halomonas Utahensis, An Ovoselenol-Biosynthetic Selenoxide Synthase in Complex with Histidine also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Iron atom in the Ovsa From Halomonas Utahensis, An Ovoselenol-Biosynthetic Selenoxide Synthase in Complex with Histidine (pdb code 8u41). 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, An Ovoselenol-Biosynthetic Selenoxide Synthase in Complex with Histidine, PDB code: 8u41:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Ovsa From Halomonas Utahensis, An Ovoselenol-Biosynthetic Selenoxide Synthase in Complex with Histidine


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, An Ovoselenol-Biosynthetic Selenoxide Synthase in Complex with Histidine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:57.0 occ:1.00 NE2 A:HIS505 2.3 59.0 1.0 NE2 A:HIS130 2.4 47.5 1.0 NE2 A:HIS47 2.4 52.3 1.0 NE2 A:HIS134 2.4 64.5 1.0 O A:HOH609 2.5 61.8 1.0 O A:HOH630 2.6 49.8 1.0 CD2 A:HIS505 3.1 56.9 1.0 CD2 A:HIS130 3.2 48.2 1.0 CE1 A:HIS134 3.3 58.6 1.0 CD2 A:HIS47 3.3 63.9 1.0 CE1 A:HIS47 3.3 65.8 1.0 CE1 A:HIS130 3.4 58.4 1.0 CD2 A:HIS134 3.5 57.3 1.0 CE1 A:HIS505 3.5 69.4 1.0 CG A:HIS505 4.3 57.3 1.0 OG A:SER76 4.4 67.6 1.0 ND1 A:HIS134 4.4 62.0 1.0 CG A:HIS130 4.4 51.4 1.0 ND1 A:HIS47 4.5 60.5 1.0 ND1 A:HIS505 4.5 72.2 1.0 ND1 A:HIS130 4.5 53.3 1.0 CG A:HIS47 4.5 64.8 1.0 CG A:HIS134 4.5 59.8 1.0 CB A:SER76 4.7 66.2 1.0 OH A:TYR398 4.9 77.9 1.0

Iron binding site 2 out of 2 in the Ovsa From Halomonas Utahensis, An Ovoselenol-Biosynthetic Selenoxide Synthase in Complex with Histidine


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, An Ovoselenol-Biosynthetic Selenoxide Synthase in Complex with Histidine within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:84.6 occ:1.00 NE2 B:HIS503 2.3 91.8 1.0 NE2 B:HIS130 2.3 79.5 1.0 NE2 B:HIS134 2.3 83.7 1.0 NE2 B:HIS47 2.4 94.8 1.0 O B:HOH604 2.5 75.6 1.0 O B:HOH608 2.8 86.4 1.0 CD2 B:HIS503 3.1 79.8 1.0 CD2 B:HIS130 3.2 81.2 1.0 CD2 B:HIS47 3.3 93.4 1.0 CD2 B:HIS134 3.3 88.7 1.0 CE1 B:HIS134 3.3 92.1 1.0 CE1 B:HIS130 3.3 86.8 1.0 CE1 B:HIS503 3.3 87.6 1.0 CE1 B:HIS47 3.4 103.3 1.0 CG B:HIS503 4.3 83.3 1.0 CG B:HIS130 4.4 82.9 1.0 ND1 B:HIS130 4.4 90.0 1.0 ND1 B:HIS503 4.4 92.7 1.0 ND1 B:HIS134 4.4 91.6 1.0 CG B:HIS134 4.4 85.6 1.0 OG B:SER76 4.4 104.2 1.0 CG B:HIS47 4.5 98.1 1.0 ND1 B:HIS47 4.5 98.4 1.0 CB B:SER76 4.7 101.3 1.0 OH B:TYR398 4.9 95.2 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