Chlorine in PDB 6gka: 20 Minute FE2+ Soak Structure of Synftn

All present enzymatic activity of 20 Minute FE2+ Soak Structure of Synftn:
1.16.3.2;

The structure of 20 Minute FE2+ Soak Structure of Synftn, PDB code: 6gka 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)	40.67 / 1.76
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	177.260, 177.260, 177.260, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 18.7

The structure of 20 Minute FE2+ Soak Structure of Synftn also contains other interesting chemical elements:

Iron

(Fe)

3 atoms

The binding sites of Chlorine atom in the 20 Minute FE2+ Soak Structure of Synftn (pdb code 6gka). 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 20 Minute FE2+ Soak Structure of Synftn, PDB code: 6gka:

Chlorine binding site 1 out of 1 in the 20 Minute FE2+ Soak Structure of Synftn


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 20 Minute FE2+ Soak Structure of Synftn within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:30.0 occ:1.00 O A:HOH336 3.0 27.8 1.0 O A:HOH508 3.1 37.0 1.0 N A:ALA100 3.3 23.3 1.0 CB A:ALA100 3.6 22.4 1.0 O A:HOH423 3.8 36.5 1.0 N A:LEU99 3.9 23.1 1.0 CB A:SER98 3.9 27.1 1.0 CD1 A:LEU167 4.0 22.7 1.0 CA A:ALA100 4.0 23.4 1.0 CB A:LEU99 4.1 23.9 1.0 CA A:GLY162 4.2 32.8 1.0 C A:LEU99 4.2 24.9 1.0 OG A:SER98 4.2 27.0 1.0 CA A:LEU99 4.3 23.6 1.0 CG1 A:VAL157 4.4 23.8 1.0 N A:GLY162 4.5 28.6 1.0 O A:HOH497 4.6 31.9 1.0 C A:SER98 4.6 26.0 1.0 CA A:SER98 4.8 24.7 1.0 CD2 A:LEU167 4.8 26.0 1.0 CG A:LEU167 5.0 23.3 1.0

J.M.Bradley, D.A.Svistunenko, J.Pullin, N.Hill, R.K.Stuart, B.Palenik, M.T.Wilson, A.M.Hemmings, G.R.Moore, N.E.Le Brun. Reaction of O2WITH A Diiron Protein Generates A Mixed-Valent FE2+/FE3+Center and Peroxide. Proc. Natl. Acad. Sci. V. 116 2058 2019U.S.A..
ISSN: ESSN 1091-6490
PubMed: 30659147
DOI: 10.1073/PNAS.1809913116