Iron in PDB 6gi1: Crystal Structure of the Ferric Enterobactin Esterase (Pfee) Mutant(S157A) From Pseudomonas Aeruginosa in Presence of Enterobactin

The structure of Crystal Structure of the Ferric Enterobactin Esterase (Pfee) Mutant(S157A) From Pseudomonas Aeruginosa in Presence of Enterobactin, PDB code: 6gi1 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)	58.55 / 1.66
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.550, 76.430, 130.670, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 20.5

The binding sites of Iron atom in the Crystal Structure of the Ferric Enterobactin Esterase (Pfee) Mutant(S157A) From Pseudomonas Aeruginosa in Presence of Enterobactin (pdb code 6gi1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of the Ferric Enterobactin Esterase (Pfee) Mutant(S157A) From Pseudomonas Aeruginosa in Presence of Enterobactin, PDB code: 6gi1:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Ferric Enterobactin Esterase (Pfee) Mutant(S157A) From Pseudomonas Aeruginosa in Presence of Enterobactin


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 Esterase (Pfee) Mutant(S157A) From Pseudomonas Aeruginosa in Presence of Enterobactin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:52.3 occ:0.80 O1 A:DBS302 1.8 43.0 0.8 O4 A:DBS302 2.0 49.6 0.8 O A:HOH447 2.0 54.9 1.0 O A:HOH402 2.0 45.9 0.8 O A:HOH507 2.1 56.5 0.8 O A:HOH436 2.1 38.8 0.8 C1 A:DBS302 2.4 37.6 0.8 C4 A:DBS302 2.6 32.9 0.8 O A:HOH497 3.1 41.2 1.0 C16 A:DBS302 3.9 31.6 0.8 C7 A:DBS302 3.9 33.5 0.8 CB A:PRO221 4.2 46.5 1.0 N1 A:DBS302 4.2 30.3 0.8 C19 A:DBS302 4.6 28.9 0.8 CD2 A:HIS258 4.6 30.2 1.0 CA A:PRO221 4.7 47.4 1.0 C13 A:DBS302 4.9 32.9 0.8 C10 A:DBS302 4.9 37.0 0.8

Iron binding site 2 out of 2 in the Crystal Structure of the Ferric Enterobactin Esterase (Pfee) Mutant(S157A) From Pseudomonas Aeruginosa in Presence of Enterobactin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Ferric Enterobactin Esterase (Pfee) Mutant(S157A) From Pseudomonas Aeruginosa in Presence of Enterobactin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:28.9 occ:0.80 O1 B:EB4309 2.0 28.0 0.8 O2 B:EB4309 2.0 34.4 0.8 O6 B:EB4309 2.1 30.5 0.8 O4 B:EB4309 2.1 26.6 0.8 O3 B:EB4309 2.2 30.4 0.8 O5 B:EB4309 2.2 26.0 0.8 C1 B:EB4309 2.8 25.6 0.8 C4 B:EB4309 2.8 23.3 0.8 C6 B:EB4309 2.8 30.5 0.8 C3 B:EB4309 2.9 30.4 0.8 C2 B:EB4309 2.9 32.5 0.8 C5 B:EB4309 3.0 29.1 0.8 NE2 B:HIS258 3.7 28.6 1.0 O B:HOH453 3.9 24.1 0.7 O B:HOH401 4.1 25.1 0.7 CD2 B:HIS258 4.1 29.7 1.0 C16 B:EB4309 4.2 25.5 0.8 C7 B:EB4309 4.2 26.3 0.8 C9 B:EB4309 4.2 33.1 0.8 C18 B:EB4309 4.3 31.1 0.8 C17 B:EB4309 4.3 36.9 0.8 C8 B:EB4309 4.4 29.6 0.8 N1 B:EB4309 4.4 28.6 0.8 CB B:PRO221 4.4 36.0 1.0 CE1 B:HIS258 4.5 26.7 1.0 N3 B:EB4309 4.6 33.5 0.8 CG B:PRO221 4.6 34.9 1.0 N2 B:EB4309 4.6 35.9 0.8 C19 B:EB4309 4.8 31.5 0.8

Q.Perraud, L.Moynie, V.Gasser, M.Munier, J.Godet, F.Hoegy, Y.Mely, G.L.A.Mislin, J.H.Naismith, I.J.Schalk. A Key Role For the Periplasmic Pfee Esterase in Iron Acquisition Via the Siderophore Enterobactin in Pseudomonas Aeruginosa. Acs Chem. Biol. V. 13 2603 2018.
ISSN: ESSN 1554-8937
PubMed: 30086222
DOI: 10.1021/ACSCHEMBIO.8B00543