Chlorine in PDB 8xfi: High-Resolution Structure of the Siderophore Periplasmic Binding Protein Ftsb From Streptococcus Pyogenes with Ferrioxamine E Bound (Crystal Form 2)

The structure of High-Resolution Structure of the Siderophore Periplasmic Binding Protein Ftsb From Streptococcus Pyogenes with Ferrioxamine E Bound (Crystal Form 2), PDB code: 8xfi was solved by J.M.M.Caaveiro, J.Fernandez-Perez, K.Tsumoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.70 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.415, 70.571, 69.073, 90, 110.66, 90
R / Rfree (%)	19.2 / 23.2

The structure of High-Resolution Structure of the Siderophore Periplasmic Binding Protein Ftsb From Streptococcus Pyogenes with Ferrioxamine E Bound (Crystal Form 2) also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Chlorine atom in the High-Resolution Structure of the Siderophore Periplasmic Binding Protein Ftsb From Streptococcus Pyogenes with Ferrioxamine E Bound (Crystal Form 2) (pdb code 8xfi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the High-Resolution Structure of the Siderophore Periplasmic Binding Protein Ftsb From Streptococcus Pyogenes with Ferrioxamine E Bound (Crystal Form 2), PDB code: 8xfi:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the High-Resolution Structure of the Siderophore Periplasmic Binding Protein Ftsb From Streptococcus Pyogenes with Ferrioxamine E Bound (Crystal Form 2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of High-Resolution Structure of the Siderophore Periplasmic Binding Protein Ftsb From Streptococcus Pyogenes with Ferrioxamine E Bound (Crystal Form 2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:36.0 occ:1.00 OH A:TYR296 3.1 45.3 1.0 N A:ASN282 3.2 33.4 1.0 CE1 A:PHE286 3.7 31.4 1.0 CB A:ASN282 3.8 36.9 1.0 CA A:VAL281 3.8 32.7 1.0 CE2 A:TYR296 3.8 38.8 1.0 CG2 A:THR300 3.9 34.5 1.0 CZ A:TYR296 3.9 40.2 1.0 C A:VAL281 4.0 33.4 1.0 CB A:VAL281 4.0 30.6 1.0 CD1 A:PHE286 4.0 28.9 1.0 CA A:ASN282 4.1 32.9 1.0 CG1 A:VAL281 4.5 31.6 1.0 CZ A:PHE286 4.8 29.7 1.0 O A:ASN282 4.8 29.7 1.0 O A:LYS280 4.9 33.2 1.0 CG1 A:VAL285 4.9 36.3 1.0 CB A:THR300 4.9 33.7 1.0 OG1 A:THR300 4.9 35.2 1.0 C A:ASN282 4.9 29.9 1.0

Chlorine binding site 2 out of 2 in the High-Resolution Structure of the Siderophore Periplasmic Binding Protein Ftsb From Streptococcus Pyogenes with Ferrioxamine E Bound (Crystal Form 2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of High-Resolution Structure of the Siderophore Periplasmic Binding Protein Ftsb From Streptococcus Pyogenes with Ferrioxamine E Bound (Crystal Form 2) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:32.3 occ:1.00 N B:ASN282 3.1 25.4 1.0 OH B:TYR296 3.4 37.9 1.0 CB B:ASN282 3.6 27.7 1.0 CE1 B:PHE286 3.7 23.9 1.0 CA B:VAL281 3.8 26.8 1.0 CG2 B:THR300 3.9 30.7 1.0 C B:VAL281 4.0 26.7 1.0 CA B:ASN282 4.0 26.2 1.0 CB B:VAL281 4.0 27.6 1.0 CE2 B:TYR296 4.1 32.5 1.0 CD1 B:PHE286 4.1 22.8 1.0 CZ B:TYR296 4.3 34.4 1.0 CG1 B:VAL281 4.5 28.2 1.0 CZ B:PHE286 4.7 22.8 1.0 O B:ASN282 4.7 25.4 1.0 O B:LYS280 4.9 27.7 1.0 OG1 B:THR300 4.9 29.2 1.0 C B:ASN282 4.9 25.6 1.0 CB B:THR300 4.9 29.7 1.0

J.Fernandez-Perez, J.M.M.Caaveiro, A.Senoo, M.Nakakido, S.De Vega, I.Nakagawa, K.Tsumoto. Conserved Binding Mechanism For Ligand Promiscuity in the Hydroxamate Siderophore Binding Protein Ftsb From Streptococcus Pyogenes Structure.
ISSN: ISSN 0969-2126
DOI: 10.1016/J.STR.2024.09.018