Chlorine in PDB 5yhg: The Crystal Structure of Staphylococcus Aureus Cnta in Complex with Staphylopine and Zinc

The structure of The Crystal Structure of Staphylococcus Aureus Cnta in Complex with Staphylopine and Zinc, PDB code: 5yhg was solved by Q.Ji, L.Song, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	78.30 / 2.03
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	86.070, 156.349, 42.257, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 21.3

The structure of The Crystal Structure of Staphylococcus Aureus Cnta in Complex with Staphylopine and Zinc also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the The Crystal Structure of Staphylococcus Aureus Cnta in Complex with Staphylopine and Zinc (pdb code 5yhg). 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 The Crystal Structure of Staphylococcus Aureus Cnta in Complex with Staphylopine and Zinc, PDB code: 5yhg:

Chlorine binding site 1 out of 1 in the The Crystal Structure of Staphylococcus Aureus Cnta in Complex with Staphylopine and Zinc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Staphylococcus Aureus Cnta in Complex with Staphylopine and Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl609 b:55.5 occ:1.00 O A:HOH946 3.2 57.3 1.0 N A:THR299 3.2 36.9 1.0 NE2 A:HIS476 3.3 44.4 1.0 OG1 A:THR299 3.6 45.5 1.0 N A:GLN300 3.7 36.8 1.0 CG A:GLN300 3.8 43.2 1.0 CA A:ALA298 3.8 39.5 1.0 CE1 A:HIS476 3.9 46.0 1.0 C A:ALA298 4.0 38.8 1.0 O A:GLN300 4.0 40.2 1.0 CA A:THR299 4.1 41.0 1.0 CB A:ALA298 4.3 42.5 1.0 C A:THR299 4.3 36.0 1.0 CA A:ALA303 4.4 53.9 1.0 CB A:ALA303 4.4 56.1 1.0 CD2 A:HIS476 4.4 47.1 1.0 CB A:THR299 4.4 45.0 1.0 O A:PRO297 4.5 46.2 1.0 CA A:GLN300 4.6 39.1 1.0 CD A:GLN300 4.6 44.2 1.0 CB A:GLN300 4.7 39.6 1.0 C A:GLN300 4.7 37.0 1.0 O A:HOH715 4.8 44.1 1.0 N A:ALA298 5.0 41.8 1.0

L.Song, Y.Zhang, W.Chen, T.Gu, S.Y.Zhang, Q.Ji. Mechanistic Insights Into Staphylopine-Mediated Metal Acquisition Proc. Natl. Acad. Sci. V. 115 3942 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 29581261
DOI: 10.1073/PNAS.1718382115