Iron in PDB 5adw: The Periplasmic Binding Protein Ceue of Campylobacter Jejuni Preferentially Binds the Iron(III) Complex of the Linear Dimer Component of Enterobactin

The structure of The Periplasmic Binding Protein Ceue of Campylobacter Jejuni Preferentially Binds the Iron(III) Complex of the Linear Dimer Component of Enterobactin, PDB code: 5adw was solved by D.J.Raines, O.V.Moroz, J.P.Turkenburg, K.S.Wilson, A.K.Duhme-Klair, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.01 / 1.90
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	58.461, 63.021, 67.011, 83.36, 76.57, 78.24
R / Rfree (%)	22.48 / 26.407

The binding sites of Iron atom in the The Periplasmic Binding Protein Ceue of Campylobacter Jejuni Preferentially Binds the Iron(III) Complex of the Linear Dimer Component of Enterobactin (pdb code 5adw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the The Periplasmic Binding Protein Ceue of Campylobacter Jejuni Preferentially Binds the Iron(III) Complex of the Linear Dimer Component of Enterobactin, PDB code: 5adw:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the The Periplasmic Binding Protein Ceue of Campylobacter Jejuni Preferentially Binds the Iron(III) Complex of the Linear Dimer Component of Enterobactin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Periplasmic Binding Protein Ceue of Campylobacter Jejuni Preferentially Binds the Iron(III) Complex of the Linear Dimer Component of Enterobactin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe311 b:41.3 occ:1.00 O37 A:EHS312 1.9 52.1 1.0 OH A:TYR288 2.0 41.5 1.0 O8 A:EHS312 2.0 37.0 1.0 O36 A:EHS312 2.0 47.2 1.0 O7 A:EHS312 2.1 35.4 1.0 NE2 A:HIS227 2.5 68.4 1.0 C32 A:EHS312 2.7 60.1 1.0 C31 A:EHS312 2.8 58.9 1.0 C1 A:EHS312 2.9 43.8 1.0 C2 A:EHS312 3.0 44.8 1.0 CZ A:TYR288 3.0 40.9 1.0 CE1 A:HIS227 3.4 65.3 1.0 CD2 A:HIS227 3.5 74.7 1.0 CE2 A:TYR288 3.6 40.8 1.0 CE1 A:TYR288 3.9 44.8 1.0 C27 A:EHS312 4.0 71.0 1.0 NH1 A:ARG205 4.1 44.4 1.0 C30 A:EHS312 4.1 57.5 1.0 NH2 A:ARG249 4.1 80.3 1.0 NH2 A:ARG118 4.2 40.1 1.0 NE A:ARG249 4.2 66.8 1.0 C6 A:EHS312 4.3 51.8 1.0 C3 A:EHS312 4.4 44.9 1.0 N11 A:EHS312 4.5 63.0 1.0 NE A:ARG118 4.5 35.7 1.0 ND1 A:HIS227 4.6 75.3 1.0 NH2 A:ARG205 4.6 46.5 1.0 CG A:HIS227 4.7 77.3 1.0 CZ A:ARG249 4.7 79.4 1.0 C25 A:EHS312 4.7 78.4 1.0 NE2 A:GLN98 4.7 53.8 1.0 O9 A:EHS312 4.8 65.5 1.0 N23 A:EHS312 4.8 77.4 1.0 CZ A:ARG118 4.8 43.0 1.0 CD2 A:TYR288 4.8 35.8 1.0 CZ A:ARG205 4.9 40.5 1.0 CG2 A:THR226 5.0 51.0 1.0 C9 A:EHS312 5.0 54.0 1.0

Iron binding site 2 out of 3 in the The Periplasmic Binding Protein Ceue of Campylobacter Jejuni Preferentially Binds the Iron(III) Complex of the Linear Dimer Component of Enterobactin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Periplasmic Binding Protein Ceue of Campylobacter Jejuni Preferentially Binds the Iron(III) Complex of the Linear Dimer Component of Enterobactin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe311 b:39.2 occ:1.00 O7 B:EHS312 1.7 31.0 1.0 OH B:TYR288 2.0 41.3 1.0 O37 B:EHS312 2.0 56.4 1.0 O36 B:EHS312 2.0 40.6 1.0 NE2 B:HIS227 2.2 46.2 1.0 O8 B:EHS312 2.2 40.8 1.0 C2 B:EHS312 2.7 40.5 1.0 C31 B:EHS312 2.8 47.2 1.0 C32 B:EHS312 2.8 52.7 1.0 C1 B:EHS312 2.8 41.9 1.0 CZ B:TYR288 3.1 46.7 1.0 CE1 B:HIS227 3.1 48.9 1.0 CD2 B:HIS227 3.3 48.4 1.0 NH2 B:ARG249 3.5 60.5 1.0 CE2 B:TYR288 3.7 45.3 1.0 NE B:ARG249 3.8 44.9 1.0 C3 B:EHS312 4.0 40.6 1.0 CE1 B:TYR288 4.0 48.4 1.0 CZ B:ARG249 4.0 49.2 1.0 C30 B:EHS312 4.1 49.8 1.0 C27 B:EHS312 4.2 55.3 1.0 NH1 B:ARG205 4.2 39.4 1.0 C6 B:EHS312 4.2 49.4 1.0 ND1 B:HIS227 4.3 47.4 1.0 NE B:ARG118 4.3 43.9 1.0 CG B:HIS227 4.4 50.0 1.0 NE2 B:GLN98 4.4 72.9 1.0 NH2 B:ARG118 4.5 46.0 1.0 N23 B:EHS312 4.6 55.6 1.0 N11 B:EHS312 4.7 59.3 1.0 CZ B:ARG118 4.8 48.1 1.0 C25 B:EHS312 4.9 59.8 1.0 CG2 B:THR226 5.0 46.7 1.0 NH2 B:ARG205 5.0 39.2 1.0 CD B:ARG249 5.0 47.3 1.0

Iron binding site 3 out of 3 in the The Periplasmic Binding Protein Ceue of Campylobacter Jejuni Preferentially Binds the Iron(III) Complex of the Linear Dimer Component of Enterobactin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Periplasmic Binding Protein Ceue of Campylobacter Jejuni Preferentially Binds the Iron(III) Complex of the Linear Dimer Component of Enterobactin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe311 b:38.7 occ:0.50 OH C:TYR288 1.9 45.6 1.0 NE2 C:HIS227 2.6 82.1 1.0 CZ C:TYR288 3.0 47.8 1.0 NH1 C:ARG118 3.0 85.8 1.0 CE1 C:HIS227 3.3 88.4 1.0 CE2 C:TYR288 3.6 41.5 1.0 CD2 C:HIS227 3.8 84.6 1.0 CE1 C:TYR288 4.0 47.3 1.0 NH2 C:ARG249 4.0 55.8 1.0 NE C:ARG249 4.1 46.2 1.0 NH1 C:ARG205 4.3 49.0 1.0 CZ C:ARG118 4.3 74.9 1.0 ND1 C:HIS227 4.5 90.5 1.0 CZ C:ARG249 4.5 54.3 1.0 CG C:HIS227 4.8 89.1 1.0 NH2 C:ARG205 4.8 54.2 1.0 CD2 C:TYR288 4.9 38.3 1.0 NH2 C:ARG118 5.0 82.4 1.0

D.J.Raines, O.V.Moroz, E.V.Blagova, J.P.Turkenburg, K.S.Wilson, A.Duhme-Klair. Bacteria in An Intense Competition For Iron: Key Component of the Campylobacter Jejuni Iron Uptake System Scavenges Enterobactin Hydrolysis Product. Proc.Natl.Acad.Sci.Usa V. 113 5850 2016.
ISSN: ISSN 0027-8424
PubMed: 27162326
DOI: 10.1073/PNAS.1520829113