Chlorine in PDB 6ris: The KB42S Variant of the Molybdenum Storage Protein

The structure of The KB42S Variant of the Molybdenum Storage Protein, PDB code: 6ris was solved by U.Ermler, S.Bruenle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.30 / 2.10
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	116.390, 116.390, 237.220, 90.00, 90.00, 120.00
R / Rfree (%)	18.7 / 21.3

The structure of The KB42S Variant of the Molybdenum Storage Protein also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the The KB42S Variant of the Molybdenum Storage Protein (pdb code 6ris). 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 KB42S Variant of the Molybdenum Storage Protein, PDB code: 6ris:

Chlorine binding site 1 out of 1 in the The KB42S Variant of the Molybdenum Storage Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The KB42S Variant of the Molybdenum Storage Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:53.3 occ:1.00 O A:HOH468 3.0 39.2 1.0 NH2 A:ARG169 3.1 38.2 1.0 O B:HOH528 3.3 70.1 1.0 CG2 B:THR18 3.5 41.0 1.0 N A:ARG230 3.5 41.9 1.0 CB A:ARG230 3.6 46.7 1.0 NH1 A:ARG169 3.6 37.7 1.0 CG A:ARG230 3.8 50.0 1.0 CZ A:ARG169 3.8 40.3 1.0 CA B:THR18 4.0 42.2 1.0 O A:HOH426 4.1 34.8 1.0 CB B:THR18 4.1 44.1 1.0 CA A:ARG230 4.1 42.4 1.0 NE2 B:GLN23 4.3 44.0 1.0 O A:HOH519 4.4 51.9 1.0 O A:HOH521 4.4 53.7 1.0 O B:LEU17 4.5 44.2 1.0 N B:THR18 4.5 41.1 1.0 C A:ASP229 4.5 42.9 1.0 CA A:ASP229 4.6 38.8 1.0 C B:LEU17 4.7 44.5 1.0 N A:ALA231 4.9 39.5 1.0

S.Brunle, M.L.Eisinger, J.Poppe, D.J.Mills, J.D.Langer, J.Vonck, U.Ermler. Molybdate Pumping Into the Molybdenum Storage Protein Via An Atp-Powered Piercing Mechanism. Proc.Natl.Acad.Sci.Usa 2019.
ISSN: ESSN 1091-6490
PubMed: 31811022
DOI: 10.1073/PNAS.1913031116