Chlorine 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:

Iron

(Fe)

1 atom

The binding sites of Chlorine atom in the Ferrichrome-Bound FHUD2 (pdb code 4b8y). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Ferrichrome-Bound FHUD2, PDB code: 4b8y:

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ferrichrome-Bound FHUD2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1313 b:38.8 occ:1.00 O A:HOH2059 2.6 19.4 1.0 OE1 A:GLN139 2.9 22.1 1.0 O A:HOH2012 2.9 20.0 1.0 NE2 A:GLN138 2.9 17.0 1.0 CG A:GLN138 3.6 16.9 1.0 CB A:GLN139 3.7 20.5 1.0 CA A:GLN139 3.7 17.5 1.0 CD A:GLN138 3.8 14.2 1.0 CD1 A:LEU142 3.8 24.0 1.0 N A:GLN139 3.8 19.0 1.0 CD A:GLN139 3.9 23.4 1.0 CA A:ASP282 4.0 20.0 1.0 CD A:PRO283 4.0 19.4 1.0 C A:GLN138 4.2 23.1 1.0 CA A:GLY60 4.3 17.8 1.0 CB A:GLN138 4.3 16.8 1.0 O A:ASN281 4.3 18.5 1.0 O A:TYR135 4.3 21.7 1.0 CG A:GLN139 4.4 21.4 1.0 CB A:ASP282 4.5 18.0 1.0 O A:GLN138 4.6 20.9 1.0 N A:ASP282 4.7 16.1 1.0 N A:GLY60 4.8 20.5 1.0 OD1 A:ASN281 4.8 20.9 1.0 C A:ASN281 4.8 13.4 1.0 N A:PRO283 4.9 20.4 1.0 CA A:GLN138 4.9 17.9 1.0 C A:ASP282 4.9 22.8 1.0 OE1 A:GLN138 5.0 15.7 1.0 CG A:LEU142 5.0 22.1 1.0 CG A:PRO283 5.0 23.1 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