Iron in PDB 4b8y: Ferrichrome-Bound FHUD2

The structure of Ferrichrome-Bound FHUD2, PDB code: 4b8y was solved by E.Malito, M.J.Bottomley, G.Spraggon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.137 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.890, 50.140, 54.350, 90.00, 106.44, 90.00
R / Rfree (%)	17.36 / 22.34

The structure of Ferrichrome-Bound FHUD2 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the Ferrichrome-Bound FHUD2 (pdb code 4b8y). 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 Ferrichrome-Bound FHUD2, PDB code: 4b8y:

Iron binding site 1 out of 1 in the Ferrichrome-Bound FHUD2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ferrichrome-Bound FHUD2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe800 b:17.7 occ:1.00 O2 B:AHO801 1.9 19.0 1.0 O3 B:AHO801 2.1 17.7 1.0 O2 B:AHO802 2.1 18.1 1.0 O3 B:AHO802 2.1 16.0 1.0 O2 B:AHO803 2.1 14.4 1.0 O3 B:AHO803 2.2 17.3 1.0 N2 B:AHO801 2.7 19.5 1.0 C6 B:AHO801 2.7 12.4 1.0 C6 B:AHO802 2.8 15.5 1.0 N2 B:AHO802 2.8 19.4 1.0 N2 B:AHO803 2.9 17.0 1.0 C6 B:AHO803 2.9 16.6 1.0 NE1 A:TRP197 4.0 16.2 1.0 NH2 A:ARG199 4.0 15.5 1.0 C5 B:AHO801 4.1 15.9 1.0 NE1 A:TRP279 4.1 18.0 1.0 C5 B:AHO802 4.2 16.6 1.0 C7 B:AHO801 4.2 19.1 1.0 C5 B:AHO803 4.2 14.9 1.0 NH1 A:ARG199 4.2 15.8 1.0 C7 B:AHO802 4.2 21.1 1.0 N1 B:AHO802 4.2 22.9 1.0 C7 B:AHO803 4.3 14.2 1.0 C3 B:AHO802 4.3 20.2 1.0 N1 B:AHO801 4.4 16.3 1.0 CZ2 A:TRP279 4.4 10.7 1.0 CE1 A:PHE186 4.4 34.1 1.0 CD1 A:TRP197 4.5 17.0 1.0 CE2 A:TRP279 4.6 16.9 1.0 C4 B:AHO801 4.6 21.0 1.0 C4 B:AHO803 4.6 14.9 1.0 CZ A:ARG199 4.6 18.7 1.0 C3 B:AHO803 4.6 16.2 1.0 C3 B:AHO801 4.7 19.0 1.0 C4 B:AHO802 4.7 22.2 1.0 C2 B:AHO802 4.8 24.6 1.0 CZ A:PHE186 4.9 34.5 1.0

P.Mariotti, E.Malito, M.Biancucci, P.Lo Surdo, R.P.Mishra, V.Nardi-Dei, S.Savino, M.Nissum, G.Spraggon, G.Grandi, F.Bagnoli, M.J.Bottomley. Structural and Functional Characterization of the Staphylococcus Aureus Virulence Factor and Vaccine Candidate FHUD2. Biochem.J. V. 449 683 2013.
ISSN: ISSN 0264-6021
PubMed: 23113737
DOI: 10.1042/BJ20121426