Chlorine 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
Iron	(Fe)	2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Egtb-IV From Crocosphaera Subtropica, A Type IV Sulfoxide Synthase Involved in Ergothioneine Biosynthesis, PDB code: 8vik:
Jump to Chlorine binding site number: 1; 2;

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl505 b:42.3 occ:1.00 OH A:TYR336 3.0 49.6 1.0 O A:HOH733 3.1 28.4 1.0 O A:HOH775 3.1 26.4 1.0 N A:ASP339 3.3 33.9 1.0 CE1 A:TYR336 3.5 40.0 1.0 NH1 A:ARG374 3.7 29.1 1.0 CZ A:TYR336 3.7 47.0 1.0 O A:ASP339 3.7 33.6 1.0 CA A:VAL338 3.8 38.6 1.0 CG1 A:VAL338 4.0 34.4 1.0 C A:VAL338 4.0 39.2 1.0 CD A:LYS342 4.1 38.8 1.0 CA A:ASP339 4.2 38.9 1.0 C A:ASP339 4.2 35.3 1.0 CB A:VAL338 4.3 36.6 1.0 CE1 A:TYR330 4.4 33.7 1.0 CB A:LYS342 4.4 30.8 1.0 CG2 A:VAL338 4.5 35.7 1.0 O A:HOH834 4.6 52.1 1.0 CB A:ASP339 4.6 37.3 1.0 CZ A:ARG374 4.6 32.4 1.0 O A:GLN337 4.7 41.5 1.0 CG A:LYS342 4.7 38.3 1.0 NH2 A:ARG374 4.8 30.8 1.0 CD1 A:TYR336 4.8 48.2 1.0 O A:HOH688 4.8 27.3 1.0 OH A:TYR330 4.9 31.2 1.0 N A:VAL338 4.9 35.7 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl502 b:37.1 occ:1.00 OH B:TYR336 2.8 43.4 1.0 O B:HOH749 3.3 27.9 1.0 N B:ASP339 3.3 35.1 1.0 O B:HOH693 3.4 31.3 1.0 CE1 B:TYR336 3.4 40.0 1.0 NH1 B:ARG374 3.5 29.4 1.0 CZ B:TYR336 3.6 36.0 1.0 O B:ASP339 3.8 31.7 1.0 CA B:VAL338 3.8 40.3 1.0 CD B:LYS342 4.0 38.6 1.0 C B:VAL338 4.1 37.2 1.0 CE1 B:TYR330 4.2 38.0 1.0 CA B:ASP339 4.3 33.5 1.0 C B:ASP339 4.3 35.0 1.0 CG1 B:VAL338 4.4 37.2 1.0 O B:GLN337 4.5 39.5 1.0 CB B:LYS342 4.5 33.2 1.0 CB B:ASP339 4.5 29.0 1.0 CB B:VAL338 4.5 42.3 1.0 CZ B:ARG374 4.6 30.9 1.0 CD1 B:TYR336 4.7 38.0 1.0 CG2 B:VAL338 4.7 38.0 1.0 O B:HOH640 4.7 36.3 1.0 CG B:LYS342 4.7 35.3 1.0 OH B:TYR330 4.8 31.0 1.0 O B:HOH747 4.9 47.3 1.0 N B:VAL338 4.9 39.3 1.0 NH2 B:ARG374 4.9 30.4 1.0 CE2 B:TYR336 4.9 42.0 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