Chlorine in PDB 6soq: 2 Minute FE2+ Soaked Structure of Synftn Variant E62A

All present enzymatic activity of 2 Minute FE2+ Soaked Structure of Synftn Variant E62A:
1.16.3.2;

The structure of 2 Minute FE2+ Soaked Structure of Synftn Variant E62A, PDB code: 6soq was solved by A.M.Hemmings, J.M.Bradley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.58 / 1.67
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	177.000, 177.000, 177.000, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 18.3

The structure of 2 Minute FE2+ Soaked Structure of Synftn Variant E62A also contains other interesting chemical elements:

Iron

(Fe)

3 atoms

The binding sites of Chlorine atom in the 2 Minute FE2+ Soaked Structure of Synftn Variant E62A (pdb code 6soq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the 2 Minute FE2+ Soaked Structure of Synftn Variant E62A, PDB code: 6soq:

Chlorine binding site 1 out of 1 in the 2 Minute FE2+ Soaked Structure of Synftn Variant E62A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2 Minute FE2+ Soaked Structure of Synftn Variant E62A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:32.9 occ:1.00 O A:HOH335 3.0 32.4 1.0 O A:HOH522 3.0 41.4 1.0 O A:HOH507 3.2 53.5 1.0 N A:ALA100 3.3 25.3 1.0 CB A:ALA100 3.7 24.7 1.0 N A:LEU99 3.8 27.0 1.0 O A:HOH441 3.9 39.6 1.0 CB A:SER98 4.0 30.1 1.0 CD1 A:LEU167 4.0 25.9 1.0 CB A:LEU99 4.0 26.3 1.0 CA A:ALA100 4.1 25.9 1.0 C A:LEU99 4.2 26.0 1.0 CA A:LEU99 4.2 25.8 1.0 CA A:GLY162 4.2 32.4 1.0 OG A:SER98 4.2 30.7 1.0 CG1 A:VAL157 4.4 25.8 1.0 N A:GLY162 4.5 31.8 1.0 C A:SER98 4.6 28.3 1.0 O A:HOH495 4.6 34.8 1.0 CD2 A:LEU167 4.8 27.1 1.0 CA A:SER98 4.8 30.1 1.0

J.M.Bradley, J.Pullin, G.R.Moore, D.A.Svistunenko, A.M.Hemmings, N.E.Le Brun. Routes of Iron Entry Into, and Exit From, the Catalytic Ferroxidase Sites of the Prokaryotic Ferritin Synftn. Dalton Trans 2020.
ISSN: ESSN 1477-9234
PubMed: 31930254
DOI: 10.1039/C9DT03570B