Iron in PDB 5a1j: Periplasmic Binding Protein Ceue in Complex with Ferric 4-Licam

The structure of Periplasmic Binding Protein Ceue in Complex with Ferric 4-Licam, PDB code: 5a1j was solved by D.J.Raines, O.V.Moroz, 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)	33.65 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.420, 66.890, 67.300, 90.00, 90.00, 90.00
R / Rfree (%)	26.422 / 31.242

The binding sites of Iron atom in the Periplasmic Binding Protein Ceue in Complex with Ferric 4-Licam (pdb code 5a1j). 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 Periplasmic Binding Protein Ceue in Complex with Ferric 4-Licam, PDB code: 5a1j:

Iron binding site 1 out of 1 in the Periplasmic Binding Protein Ceue in Complex with Ferric 4-Licam


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Periplasmic Binding Protein Ceue in Complex with Ferric 4-Licam within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1311 b:17.4 occ:1.00 OH A:TYR288 1.8 15.8 1.0 O24 A:LCM1312 1.9 17.8 1.0 O23 A:LCM1312 1.9 16.4 1.0 O25 A:LCM1312 2.1 18.0 1.0 O26 A:LCM1312 2.2 15.1 1.0 NE2 A:HIS227 2.2 11.1 1.0 C18 A:LCM1312 2.7 13.4 1.0 C19 A:LCM1312 2.8 13.0 1.0 C2 A:LCM1312 2.9 18.8 1.0 C3 A:LCM1312 2.9 22.0 1.0 CZ A:TYR288 2.9 14.5 1.0 CE1 A:HIS227 3.0 12.1 1.0 CD2 A:HIS227 3.3 11.3 1.0 CE2 A:TYR288 3.7 14.5 1.0 CE1 A:TYR288 3.9 13.9 1.0 NH1 A:ARG205 4.0 13.1 1.0 OE1 A:GLN98 4.1 25.4 1.0 NE A:ARG249 4.1 18.4 1.0 NH2 A:ARG118 4.1 17.6 1.0 C20 A:LCM1312 4.1 12.8 1.0 ND1 A:HIS227 4.2 11.3 1.0 C16 A:LCM1312 4.2 14.4 1.0 C1 A:LCM1312 4.3 18.7 1.0 NE A:ARG118 4.3 16.9 1.0 NH2 A:ARG249 4.3 18.8 1.0 C4 A:LCM1312 4.3 21.4 1.0 N8 A:LCM1312 4.4 22.5 1.0 CG A:HIS227 4.4 11.2 1.0 CZ A:ARG118 4.6 16.4 1.0 NH2 A:ARG205 4.6 13.0 1.0 CZ A:ARG249 4.7 20.1 1.0 N14 A:LCM1312 4.7 16.1 1.0 CZ A:ARG205 4.8 13.0 1.0 CD2 A:TYR288 4.9 14.5 1.0 C7 A:LCM1312 5.0 24.8 1.0 C15 A:LCM1312 5.0 14.6 1.0

D.J.Raines, O.V.Moroz, K.S.Wilson, A.Duhme-Klair. Interactions of A Periplasmic Binding Protein with A Tetradentate Siderophore Mimic. Angew.Chem.Int.Ed.Engl. V. 52 4595 2013.
ISSN: ISSN 1433-7851
PubMed: 23512642
DOI: 10.1002/ANIE.201300751