Chlorine in PDB 6gwb: Molybdenum Storage Protein Without Polyoxomolybdate Clusters

The structure of Molybdenum Storage Protein Without Polyoxomolybdate Clusters, PDB code: 6gwb was solved by U.Ermler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.42 / 1.90
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	115.400, 115.400, 234.500, 90.00, 90.00, 120.00
R / Rfree (%)	16.2 / 18.6

The structure of Molybdenum Storage Protein Without Polyoxomolybdate Clusters also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Molybdenum Storage Protein Without Polyoxomolybdate Clusters (pdb code 6gwb). 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 Molybdenum Storage Protein Without Polyoxomolybdate Clusters, PDB code: 6gwb:

Chlorine binding site 1 out of 1 in the Molybdenum Storage Protein Without Polyoxomolybdate Clusters


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Molybdenum Storage Protein Without Polyoxomolybdate Clusters within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:0.6 occ:1.00 O B:HOH454 2.8 32.5 1.0 O B:HOH404 2.8 37.6 1.0 NE2 B:HIS121 2.9 23.1 1.0 CE B:LYS120 3.5 34.5 1.0 CE1 B:HIS121 3.7 26.9 1.0 O B:HOH562 4.0 49.6 1.0 NZ B:LYS120 4.0 33.3 1.0 CD2 B:HIS121 4.0 22.5 1.0 O B:HOH559 4.4 37.8 1.0 O B:HOH521 4.4 34.5 1.0 CG1 B:VAL60 4.5 20.5 1.0 OD1 B:ASP61 4.5 34.2 1.0 O B:HOH548 4.6 42.5 1.0 O B:LEU117 4.8 17.1 1.0 CD B:LYS120 4.8 27.9 1.0 ND1 B:HIS121 4.9 25.0 1.0

S.Brunle, J.Poppe, R.Hail, U.Demmer, U.Ermler. The Molybdenum Storage Protein - A Bionanolab For Creating Experimentally Alterable Polyoxomolybdate Clusters. J. Inorg. Biochem. V. 189 172 2018.
ISSN: ISSN 1873-3344
PubMed: 30278367
DOI: 10.1016/J.JINORGBIO.2018.09.011