Iron in PDB 8vik: Egtb-IV From Crocosphaera Subtropica, A Type IV Sulfoxide Synthase Involved in Ergothioneine Biosynthesis

The structure of Egtb-IV From Crocosphaera Subtropica, A Type IV Sulfoxide Synthase Involved in Ergothioneine Biosynthesis, PDB code: 8vik 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)	29.43 / 1.96
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.197, 94.511, 83.747, 90, 100.16, 90
R / Rfree (%)	19 / 21.9

The structure of Egtb-IV From Crocosphaera Subtropica, A Type IV Sulfoxide Synthase Involved in Ergothioneine Biosynthesis also contains other interesting chemical elements:

Sodium	(Na)	2 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Iron atom in the Egtb-IV From Crocosphaera Subtropica, A Type IV Sulfoxide Synthase Involved in Ergothioneine Biosynthesis (pdb code 8vik). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Egtb-IV From Crocosphaera Subtropica, A Type IV Sulfoxide Synthase Involved in Ergothioneine Biosynthesis, PDB code: 8vik:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Egtb-IV From Crocosphaera Subtropica, A Type IV Sulfoxide Synthase Involved in Ergothioneine Biosynthesis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Egtb-IV From Crocosphaera Subtropica, A Type IV Sulfoxide Synthase Involved in Ergothioneine Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:45.1 occ:1.00 NE2 A:HIS154 2.3 31.2 1.0 NE2 A:HIS61 2.4 39.2 1.0 NE2 A:HIS158 2.4 39.3 1.0 O A:HOH742 2.9 32.5 1.0 O A:HOH865 3.2 27.7 1.0 CD2 A:HIS154 3.2 26.6 1.0 CD2 A:HIS61 3.2 32.3 1.0 O A:HOH869 3.2 34.9 1.0 CE1 A:HIS158 3.3 29.8 1.0 CE1 A:HIS154 3.3 31.1 1.0 CE1 A:HIS61 3.5 38.5 1.0 CD2 A:HIS158 3.5 31.4 1.0 CG A:HIS154 4.4 29.8 1.0 ND1 A:HIS154 4.4 33.4 1.0 CG A:HIS61 4.4 38.4 1.0 ND1 A:HIS158 4.4 36.7 1.0 ND1 A:HIS61 4.5 38.1 1.0 CG A:HIS158 4.6 37.1 1.0 O A:HOH839 4.6 46.6 1.0 O A:HOH763 4.8 39.5 1.0 OH A:TYR397 4.9 35.4 1.0 CD2 A:PHE65 5.0 30.8 1.0

Iron binding site 2 out of 2 in the Egtb-IV From Crocosphaera Subtropica, A Type IV Sulfoxide Synthase Involved in Ergothioneine Biosynthesis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Egtb-IV From Crocosphaera Subtropica, A Type IV Sulfoxide Synthase Involved in Ergothioneine Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe503 b:59.9 occ:1.00 NE2 B:HIS154 2.3 34.0 1.0 NE2 B:HIS158 2.3 42.1 1.0 O B:HOH750 2.4 44.9 1.0 NE2 B:HIS61 2.4 41.9 1.0 O B:HOH792 2.7 54.8 1.0 CE1 B:HIS158 3.1 46.1 1.0 CE1 B:HIS154 3.2 37.1 1.0 CD2 B:HIS61 3.2 41.6 1.0 CD2 B:HIS154 3.3 33.8 1.0 O B:HOH729 3.3 45.4 1.0 CD2 B:HIS158 3.4 41.4 1.0 CE1 B:HIS61 3.5 46.2 1.0 ND1 B:HIS158 4.3 45.9 1.0 ND1 B:HIS154 4.3 34.7 1.0 CG B:HIS154 4.4 30.2 1.0 CG B:HIS158 4.4 45.0 1.0 CG B:HIS61 4.5 46.0 1.0 ND1 B:HIS61 4.6 46.2 1.0 OH B:TYR397 4.6 50.7 1.0 CD2 B:PHE65 4.9 33.3 1.0

K.A.Ireland, C.M.Kayrouz, M.L.Abbott, M.R.Seyedsayamdost, K.M.Davis. Structural Insights Into the Convergent Evolution of Type IV Sulfoxide Synthase Egtb, An Ergothioneine-Biosynthetic Homolog of Ovothiol Synthase Ovoa Structure 2024.
ISSN: ISSN 0969-2126