Iron in PDB 4oes: Crystal Structure of Nika From Brucella Suis in Complex with Fe(III)- Edta

The structure of Crystal Structure of Nika From Brucella Suis in Complex with Fe(III)- Edta, PDB code: 4oes was solved by H.Lebrette, C.Cavazza, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.84 / 1.95
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	142.710, 76.300, 59.580, 90.00, 109.51, 90.00
R / Rfree (%)	19.2 / 24.1

The binding sites of Iron atom in the Crystal Structure of Nika From Brucella Suis in Complex with Fe(III)- Edta (pdb code 4oes). 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 Crystal Structure of Nika From Brucella Suis in Complex with Fe(III)- Edta, PDB code: 4oes:

Iron binding site 1 out of 1 in the Crystal Structure of Nika From Brucella Suis in Complex with Fe(III)- Edta


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 Nika From Brucella Suis in Complex with Fe(III)- Edta within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:23.5 occ:1.00 O13 A:EDT601 2.1 22.6 1.0 O15 A:EDT601 2.1 27.8 1.0 N3 A:EDT601 2.1 24.0 1.0 O19 A:EDT601 2.2 21.0 1.0 O17 A:EDT601 2.2 21.2 1.0 O A:HOH701 2.4 32.9 1.0 N8 A:EDT601 2.4 18.6 1.0 C10 A:EDT601 2.9 25.5 1.0 C1 A:EDT601 2.9 22.4 1.0 C12 A:EDT601 2.9 24.9 1.0 C2 A:EDT601 2.9 20.3 1.0 C5 A:EDT601 3.0 23.5 1.0 C9 A:EDT601 3.0 22.5 1.0 C4 A:EDT601 3.0 22.6 1.0 C11 A:EDT601 3.1 18.0 1.0 C6 A:EDT601 3.1 24.5 1.0 C7 A:EDT601 3.3 20.4 1.0 O16 A:EDT601 4.1 27.6 1.0 O14 A:EDT601 4.1 22.5 1.0 O18 A:EDT601 4.1 22.8 1.0 O20 A:EDT601 4.2 23.4 1.0 NH2 A:ARG135 4.4 18.3 1.0 O A:HOH768 4.5 31.5 1.0 O A:HOH783 4.6 36.4 1.0

H.Lebrette, C.Brochier-Armanet, B.Zambelli, H.De Reuse, E.Borezee-Durant, S.Ciurli, C.Cavazza. Promiscuous Nickel Import in Human Pathogens: Structure, Thermodynamics, and Evolution of Extracytoplasmic Nickel-Binding Proteins. Structure 2014.
ISSN: ISSN 0969-2126
PubMed: 25199691
DOI: 10.1016/J.STR.2014.07.012