Iron in PDB 5nr2: Crystal Structure of the Ferric Enterobactin Receptor (Pfea) From Pseudomonas Aeruginosa in Complex with Azotochelin

The structure of Crystal Structure of the Ferric Enterobactin Receptor (Pfea) From Pseudomonas Aeruginosa in Complex with Azotochelin, PDB code: 5nr2 was solved by L.Moynie, J.H.Naismith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	86.64 / 2.78
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	86.640, 158.080, 78.990, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 26

The binding sites of Iron atom in the Crystal Structure of the Ferric Enterobactin Receptor (Pfea) From Pseudomonas Aeruginosa in Complex with Azotochelin (pdb code 5nr2). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of the Ferric Enterobactin Receptor (Pfea) From Pseudomonas Aeruginosa in Complex with Azotochelin, PDB code: 5nr2:

Iron binding site 1 out of 1 in the Crystal Structure of the Ferric Enterobactin Receptor (Pfea) From Pseudomonas Aeruginosa in Complex with Azotochelin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Ferric Enterobactin Receptor (Pfea) From Pseudomonas Aeruginosa in Complex with Azotochelin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe801 b:85.0 occ:1.00 OAF A:95B802 2.0 67.3 1.0 OAG A:95B802 2.1 0.0 1.0 O1 A:EDO803 2.1 89.3 1.0 OAH A:95B802 2.1 76.9 1.0 OAE A:95B802 2.2 92.3 1.0 O2 A:EDO803 2.3 93.1 1.0 CAY A:95B802 2.8 79.0 1.0 CBA A:95B802 2.8 80.5 1.0 CAZ A:95B802 2.9 0.6 1.0 CAX A:95B802 3.0 0.2 1.0 C1 A:EDO803 3.2 0.6 1.0 C2 A:EDO803 3.2 92.3 1.0 N A:GLY325 3.6 97.9 1.0 CA A:GLY324 3.7 99.2 1.0 CB A:GLN482 4.0 98.6 1.0 C A:GLY324 4.1 99.8 1.0 CAL A:95B802 4.1 95.5 1.0 OG A:SER479 4.1 1.0 1.0 CBC A:95B802 4.2 87.9 1.0 CBB A:95B802 4.3 0.4 1.0 N A:ARG480 4.3 94.7 1.0 CB A:ARG480 4.3 0.3 1.0 CAK A:95B802 4.3 91.3 1.0 NAS A:95B802 4.5 95.1 1.0 N A:95B802 4.6 96.5 1.0 CA A:GLY325 4.7 93.5 1.0 CG A:GLN482 4.8 0.5 1.0 N A:GLN482 4.8 90.6 1.0 CA A:ARG480 4.9 0.7 1.0 CAV A:95B802 4.9 89.5 1.0 CAW A:95B802 4.9 91.9 1.0 NE2 A:GLN482 5.0 0.5 1.0

L.Moynie, S.Milenkovic, G.L.A.Mislin, V.Gasser, G.Malloci, E.Baco, R.P.Mccaughan, M.G.P.Page, I.J.Schalk, M.Ceccarelli, J.H.Naismith. The Complex of Ferric-Enterobactin with Its Transporter From Pseudomonas Aeruginosa Suggests A Two-Site Model. Nat Commun V. 10 3673 2019.
ISSN: ESSN 2041-1723
PubMed: 31413254
DOI: 10.1038/S41467-019-11508-Y