Iron in PDB 8ux5: Ovsa M401Y/Q430N/A431F From Halomonas Utahensis, A Hercynine-Binding Variant with Selenoneine-Biosynthetic Activity

The structure of Ovsa M401Y/Q430N/A431F From Halomonas Utahensis, A Hercynine-Binding Variant with Selenoneine-Biosynthetic Activity, PDB code: 8ux5 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)	29.09 / 3.06
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	162.174, 162.174, 124.663, 90, 90, 120
R / Rfree (%)	20.3 / 25.3

The structure of Ovsa M401Y/Q430N/A431F From Halomonas Utahensis, A Hercynine-Binding Variant with Selenoneine-Biosynthetic Activity also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Iron atom in the Ovsa M401Y/Q430N/A431F From Halomonas Utahensis, A Hercynine-Binding Variant with Selenoneine-Biosynthetic Activity (pdb code 8ux5). 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 M401Y/Q430N/A431F From Halomonas Utahensis, A Hercynine-Binding Variant with Selenoneine-Biosynthetic Activity, PDB code: 8ux5:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Ovsa M401Y/Q430N/A431F From Halomonas Utahensis, A Hercynine-Binding Variant with Selenoneine-Biosynthetic Activity


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ovsa M401Y/Q430N/A431F From Halomonas Utahensis, A Hercynine-Binding Variant with Selenoneine-Biosynthetic Activity within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:74.5 occ:1.00 O A:HOH609 2.3 77.1 1.0 NE2 A:HIS47 2.3 76.3 1.0 NE2 A:HIS134 2.3 67.1 1.0 NE2 A:HIS130 2.4 59.5 1.0 O A:HOH602 2.6 82.6 1.0 O A:HOH607 2.6 58.8 1.0 CE1 A:HIS134 3.2 65.3 1.0 CD2 A:HIS47 3.2 79.4 1.0 CE1 A:HIS130 3.3 88.0 1.0 CD2 A:HIS130 3.3 75.1 1.0 CE1 A:HIS47 3.4 95.1 1.0 CD2 A:HIS134 3.4 76.8 1.0 ND1 A:HIS134 4.4 69.5 1.0 CG A:HIS47 4.4 79.5 1.0 ND1 A:HIS130 4.4 83.2 1.0 ND1 A:HIS47 4.4 89.3 1.0 CG A:HIS130 4.5 87.0 1.0 CG A:HIS134 4.5 62.3 1.0 OG A:SER76 4.7 108.0 1.0 CB A:SER76 4.9 76.1 1.0

Iron binding site 2 out of 2 in the Ovsa M401Y/Q430N/A431F From Halomonas Utahensis, A Hercynine-Binding Variant with Selenoneine-Biosynthetic Activity


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ovsa M401Y/Q430N/A431F From Halomonas Utahensis, A Hercynine-Binding Variant with Selenoneine-Biosynthetic Activity within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:96.3 occ:1.00 O B:HOH605 2.2 98.2 1.0 NE2 B:HIS134 2.2 94.8 1.0 NE2 B:HIS130 2.3 91.2 1.0 NE2 B:HIS47 2.3 115.2 1.0 O B:HOH602 2.5 106.8 1.0 O B:HOH604 2.7 82.1 1.0 CE1 B:HIS134 3.0 88.2 1.0 CD2 B:HIS130 3.2 106.0 1.0 CE1 B:HIS47 3.3 117.8 1.0 CD2 B:HIS47 3.3 107.9 1.0 CE1 B:HIS130 3.4 104.5 1.0 CD2 B:HIS134 3.4 100.2 1.0 ND1 B:HIS134 4.2 111.7 1.0 CG B:HIS130 4.4 103.3 1.0 ND1 B:HIS47 4.4 116.6 1.0 ND1 B:HIS130 4.4 113.9 1.0 CG B:HIS134 4.4 105.8 1.0 CG B:HIS47 4.5 115.1 1.0 OG B:SER76 4.5 128.0 1.0 CB B:SER76 5.0 124.2 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