Chlorine in PDB 7pfi: 20 Minute FE2+ Soaked Structure of Synftn Variant D65A

All present enzymatic activity of 20 Minute FE2+ Soaked Structure of Synftn Variant D65A:
1.16.3.2;

The structure of 20 Minute FE2+ Soaked Structure of Synftn Variant D65A, PDB code: 7pfi 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)	40.47 / 1.70
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	176.4, 176.4, 176.4, 90, 90, 90
R / Rfree (%)	17.3 / 19.4

The structure of 20 Minute FE2+ Soaked Structure of Synftn Variant D65A also contains other interesting chemical elements:

Iron	(Fe)	3 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the 20 Minute FE2+ Soaked Structure of Synftn Variant D65A (pdb code 7pfi). 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+ Soaked Structure of Synftn Variant D65A, PDB code: 7pfi:

Chlorine binding site 1 out of 1 in the 20 Minute FE2+ Soaked Structure of Synftn Variant D65A


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+ Soaked Structure of Synftn Variant D65A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:34.0 occ:1.00 O A:HOH516 3.1 44.7 1.0 O A:HOH338 3.1 32.9 1.0 O A:HOH508 3.2 49.2 1.0 N A:ALA100 3.3 30.5 1.0 CB A:ALA100 3.7 27.6 1.0 N A:LEU99 3.7 28.0 1.0 O A:HOH413 3.8 36.5 1.0 CB A:SER98 3.9 30.9 1.0 CD1 A:LEU167 4.0 27.6 1.0 CB A:LEU99 4.0 27.7 1.0 CA A:ALA100 4.1 30.6 1.0 CA A:GLY162 4.2 32.6 1.0 C A:LEU99 4.2 30.6 1.0 CA A:LEU99 4.2 30.4 1.0 OG A:SER98 4.2 33.3 1.0 CG1 A:VAL157 4.4 26.0 1.0 N A:GLY162 4.5 34.8 1.0 C A:SER98 4.5 28.3 1.0 CA A:SER98 4.7 30.0 1.0 O A:HOH486 4.8 38.8 1.0 CD2 A:LEU167 4.8 30.6 1.0 O A:HOH424 5.0 43.5 1.0 CG A:LEU167 5.0 27.9 1.0

J.M.Bradley, J.Fair, A.M.Hemmings, N.E.Le Brun. Key Carboxylate Residues For Iron Transit Through the Prokaryotic Ferritin Syn Ftn. Microbiology (Reading, V. 167 2021ENGL.).
ISSN: ESSN 1465-2080
PubMed: 34825885
DOI: 10.1099/MIC.0.001105