Iron in PDB 6gi5: Crystal Structure of the Ferric Enterobactin Esterase (Pfee) From Pseudomonas Aeruginosa in Complex with the Tris-Catechol Vector

The structure of Crystal Structure of the Ferric Enterobactin Esterase (Pfee) From Pseudomonas Aeruginosa in Complex with the Tris-Catechol Vector, PDB code: 6gi5 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)	89.53 / 3.11
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	126.612, 126.612, 293.711, 90.00, 90.00, 90.00
R / Rfree (%)	24.2 / 28.5

The binding sites of Iron atom in the Crystal Structure of the Ferric Enterobactin Esterase (Pfee) From Pseudomonas Aeruginosa in Complex with the Tris-Catechol Vector (pdb code 6gi5). 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) From Pseudomonas Aeruginosa in Complex with the Tris-Catechol Vector, PDB code: 6gi5:
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) From Pseudomonas Aeruginosa in Complex with the Tris-Catechol Vector


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) From Pseudomonas Aeruginosa in Complex with the Tris-Catechol Vector within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:0.5 occ:1.00 OAI A:8SW302 2.2 0.7 1.0 OAL A:8SW302 2.2 0.3 1.0 OAH A:8SW302 2.3 0.6 1.0 OAK A:8SW302 2.3 1.0 1.0 OAJ A:8SW302 2.4 0.9 1.0 OAM A:8SW302 2.4 0.7 1.0 CBR A:8SW302 3.1 0.2 1.0 CBO A:8SW302 3.1 1.0 1.0 CBN A:8SW302 3.2 0.9 1.0 CBQ A:8SW302 3.2 0.8 1.0 CBS A:8SW302 3.3 0.2 1.0 CBP A:8SW302 3.3 0.6 1.0 CAS A:8SW302 4.4 0.8 1.0 CBU A:8SW302 4.4 0.1 1.0 CAR A:8SW302 4.5 0.0 1.0 CBT A:8SW302 4.5 0.3 1.0 CAT A:8SW302 4.6 0.9 1.0 CBV A:8SW302 4.6 0.5 1.0 N A:8SW302 4.7 0.6 1.0 NBC A:8SW302 4.7 0.1 1.0 CD2 A:HIS258 4.8 80.0 1.0 NBG A:8SW302 4.8 0.3 1.0 CB A:PRO221 4.9 0.6 1.0 OAF A:8SW302 5.0 0.9 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Ferric Enterobactin Esterase (Pfee) From Pseudomonas Aeruginosa in Complex with the Tris-Catechol Vector


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) From Pseudomonas Aeruginosa in Complex with the Tris-Catechol Vector within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:0.7 occ:0.80 OAI B:8SW302 2.1 0.8 0.8 OAK B:8SW302 2.1 0.2 0.8 OAH B:8SW302 2.1 0.1 0.8 OAM B:8SW302 2.1 0.9 0.8 OAJ B:8SW302 2.1 0.2 0.8 OAL B:8SW302 2.2 0.1 0.8 CBQ B:8SW302 2.9 0.5 0.8 CBO B:8SW302 2.9 0.7 0.8 CBN B:8SW302 2.9 0.1 0.8 CBR B:8SW302 2.9 0.3 0.8 CBS B:8SW302 3.0 0.6 0.8 CBP B:8SW302 3.0 0.3 0.8 CB B:PRO221 3.9 0.2 1.0 CBT B:8SW302 4.2 1.0 0.8 CAS B:8SW302 4.3 0.5 0.8 CAR B:8SW302 4.3 0.1 0.8 CBU B:8SW302 4.3 0.4 0.8 CBV B:8SW302 4.3 0.9 0.8 CAT B:8SW302 4.4 0.6 0.8 NBG B:8SW302 4.6 0.3 0.8 N B:8SW302 4.6 0.7 0.8 CA B:PRO221 4.7 0.4 1.0 OAF B:8SW302 4.8 0.5 0.8 CBI B:8SW302 4.8 0.7 0.8 CG B:PRO221 4.9 1.0 1.0 CD2 B:HIS258 4.9 0.1 1.0 NBC B:8SW302 4.9 0.0 0.8 CBJ B:8SW302 5.0 0.9 0.8 CBK B:8SW302 5.0 0.2 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