Iron in PDB 6gi2: Crystal Structure of the Ferric Enterobactin Esterase (Pfee) Mutant(S157A) From Pseudomonas Aeruginosa in Complex with Tris- Catechol Vector

The structure of Crystal Structure of the Ferric Enterobactin Esterase (Pfee) Mutant(S157A) From Pseudomonas Aeruginosa in Complex with Tris- Catechol Vector, PDB code: 6gi2 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)	65.98 / 1.49
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.794, 76.602, 129.867, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 19.9

The binding sites of Iron atom in the Crystal Structure of the Ferric Enterobactin Esterase (Pfee) Mutant(S157A) From Pseudomonas Aeruginosa in Complex with Tris- Catechol Vector (pdb code 6gi2). 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 Complex with Tris- Catechol Vector, PDB code: 6gi2:
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 Complex with 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) Mutant(S157A) From Pseudomonas Aeruginosa in Complex with Tris- Catechol Vector within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:26.5 occ:1.00 OAI A:8SW302 2.0 29.2 1.0 OAH A:8SW302 2.1 27.9 1.0 OAL A:8SW302 2.1 23.5 1.0 OAM A:8SW302 2.1 25.4 1.0 OAK A:8SW302 2.1 23.4 1.0 OAJ A:8SW302 2.2 28.5 1.0 CBO A:8SW302 2.9 27.4 1.0 CBR A:8SW302 2.9 24.0 1.0 CBN A:8SW302 2.9 31.2 1.0 CBQ A:8SW302 2.9 30.4 1.0 CBS A:8SW302 3.0 24.9 1.0 CBP A:8SW302 3.0 26.0 1.0 O A:HOH401 3.1 37.3 1.0 O A:HOH437 3.7 52.1 1.0 O A:HOH466 3.9 48.4 1.0 O A:HOH470 4.0 33.5 1.0 O A:HOH457 4.1 40.2 1.0 CBU A:8SW302 4.2 21.5 1.0 CAS A:8SW302 4.2 24.8 1.0 O A:HOH486 4.2 32.0 1.0 CB A:PRO221 4.3 33.5 1.0 CBT A:8SW302 4.3 28.0 1.0 CAR A:8SW302 4.3 31.6 1.0 CBV A:8SW302 4.3 24.6 1.0 CAT A:8SW302 4.3 27.6 1.0 N A:8SW302 4.5 20.7 1.0 NBC A:8SW302 4.5 27.9 1.0 CD2 A:HIS258 4.6 20.9 1.0 NBG A:8SW302 4.6 25.7 1.0 O A:HOH462 4.7 56.0 1.0 CBJ A:8SW302 4.9 22.1 1.0 CBI A:8SW302 4.9 30.3 1.0 CA A:PRO221 5.0 31.2 1.0 CBK A:8SW302 5.0 26.8 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Ferric Enterobactin Esterase (Pfee) Mutant(S157A) From Pseudomonas Aeruginosa in Complex with 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) Mutant(S157A) From Pseudomonas Aeruginosa in Complex with Tris- Catechol Vector within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:14.1 occ:0.50 OAK B:8SW302 2.0 17.1 0.7 OAH B:8SW302 2.1 15.7 0.7 OAM B:8SW302 2.1 19.6 0.7 OAI B:8SW302 2.1 22.1 0.7 OAJ B:8SW302 2.1 18.2 0.7 OAL B:8SW302 2.1 19.6 0.7 CBQ B:8SW302 2.8 15.0 0.7 CBN B:8SW302 2.8 13.9 0.7 CBR B:8SW302 2.9 22.6 0.7 CBS B:8SW302 2.9 21.3 0.7 CBO B:8SW302 2.9 24.0 0.7 CBP B:8SW302 2.9 18.9 0.7 NE2 B:HIS258 3.7 17.1 1.0 O B:HOH468 3.9 21.7 0.7 O B:HOH401 4.0 21.6 0.7 NBC B:8SW302 4.1 23.9 0.7 CBT B:8SW302 4.1 17.9 0.7 CD2 B:HIS258 4.1 16.4 1.0 CAR B:8SW302 4.2 14.2 0.7 CBV B:8SW302 4.2 20.7 0.7 CBU B:8SW302 4.3 21.7 0.7 CAS B:8SW302 4.3 20.4 0.7 CAT B:8SW302 4.3 21.3 0.7 CB B:PRO221 4.4 27.5 1.0 N B:8SW302 4.5 24.6 0.7 NBG B:8SW302 4.5 28.8 0.7 CE1 B:HIS258 4.6 18.1 1.0 CG B:PRO221 4.6 26.0 1.0 CBI B:8SW302 4.6 18.4 0.7 CBK B:8SW302 4.9 26.7 0.7 NBD B:8SW302 4.9 22.4 0.7 CBJ B:8SW302 4.9 25.8 0.7

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