Iron 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:

Chlorine

(Cl)

2 atoms

The binding sites of Iron 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 Iron atom.
In total 2 binding sites of Iron 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 Iron binding site number: 1; 2;

Iron 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 Iron with other atoms in the Fe 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:Fe402 b:29.1 occ:1.00 OAI A:6L0401 1.9 28.0 1.0 OAH A:6L0401 1.9 27.8 1.0 OAG A:6L0401 2.1 32.6 1.0 OAE A:6L0401 2.1 27.5 1.0 OAD A:6L0401 2.2 32.7 1.0 OAF A:6L0401 2.2 27.1 1.0 NBP A:6L0401 2.7 30.5 1.0 CBM A:6L0401 2.8 31.3 1.0 NBN A:6L0401 2.8 30.1 1.0 CBK A:6L0401 2.8 30.0 1.0 NBO A:6L0401 2.8 32.5 1.0 CBL A:6L0401 2.9 33.4 1.0 CBD A:6L0401 4.1 32.2 1.0 NE1 A:TRP204 4.2 28.9 1.0 CBC A:6L0401 4.2 36.8 1.0 CBB A:6L0401 4.2 34.8 1.0 CAY A:6L0401 4.3 27.4 1.0 CBA A:6L0401 4.3 32.4 1.0 NH2 A:ARG206 4.3 33.0 1.0 CAZ A:6L0401 4.4 37.5 1.0 NH1 A:ARG206 4.4 28.9 1.0 CAK A:6L0401 4.5 31.6 1.0 CAL A:6L0401 4.6 42.0 1.0 CAJ A:6L0401 4.7 40.2 1.0 CAP A:6L0401 4.7 38.5 1.0 OAA A:6L0401 4.8 51.0 1.0 CAR A:6L0401 4.8 39.8 1.0 CZ A:ARG206 4.8 30.8 1.0 CAQ A:6L0401 4.9 31.8 1.0 CBH A:6L0401 4.9 44.7 1.0 CAX A:6L0401 5.0 32.5 1.0 CAV A:6L0401 5.0 28.2 1.0

Iron 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 Iron with other atoms in the Fe 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:Fe402 b:24.0 occ:1.00 OAI B:6L0401 1.9 28.4 1.0 OAH B:6L0401 1.9 24.3 1.0 OAG B:6L0401 2.0 28.7 1.0 OAE B:6L0401 2.1 24.1 1.0 OAF B:6L0401 2.1 22.4 1.0 OAD B:6L0401 2.1 24.0 1.0 NBO B:6L0401 2.7 27.0 1.0 NBP B:6L0401 2.8 25.2 1.0 CBL B:6L0401 2.8 28.4 1.0 CBM B:6L0401 2.8 26.0 1.0 NBN B:6L0401 2.8 27.2 1.0 CBK B:6L0401 2.8 24.6 1.0 NH2 B:ARG206 4.1 25.1 1.0 O B:HOH610 4.1 22.5 0.5 CBC B:6L0401 4.1 28.6 1.0 CBD B:6L0401 4.1 26.3 1.0 CBB B:6L0401 4.3 32.8 1.0 NE1 B:TRP204 4.3 23.5 1.0 CAZ B:6L0401 4.3 34.5 1.0 CBA B:6L0401 4.3 25.6 1.0 CAY B:6L0401 4.3 22.4 1.0 NH1 B:ARG206 4.4 24.1 1.0 CAL B:6L0401 4.5 32.8 1.0 CAK B:6L0401 4.6 28.6 1.0 CAJ B:6L0401 4.6 37.2 1.0 CAR B:6L0401 4.7 29.5 1.0 CZ B:ARG206 4.7 23.7 1.0 CAP B:6L0401 4.8 34.0 1.0 CAQ B:6L0401 4.9 29.0 1.0 CAX B:6L0401 5.0 25.9 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