Chlorine in PDB 7osu: STIM11NOCYS-Sb, A De Novo Designed Tim Barrel with A Salt-Bridge Cluster (Crystal Form 1)

The structure of STIM11NOCYS-Sb, A De Novo Designed Tim Barrel with A Salt-Bridge Cluster (Crystal Form 1), PDB code: 7osu was solved by S.Romero-Romero, S.Kordes, B.Hocker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.30 / 1.37
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	50.72, 50.72, 131.09, 90, 90, 90
R / Rfree (%)	20.9 / 24.8

The binding sites of Chlorine atom in the STIM11NOCYS-Sb, A De Novo Designed Tim Barrel with A Salt-Bridge Cluster (Crystal Form 1) (pdb code 7osu). 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 STIM11NOCYS-Sb, A De Novo Designed Tim Barrel with A Salt-Bridge Cluster (Crystal Form 1), PDB code: 7osu:

Chlorine binding site 1 out of 1 in the STIM11NOCYS-Sb, A De Novo Designed Tim Barrel with A Salt-Bridge Cluster (Crystal Form 1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of STIM11NOCYS-Sb, A De Novo Designed Tim Barrel with A Salt-Bridge Cluster (Crystal Form 1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:54.0 occ:1.00 NZ A:LYS175 3.2 43.7 1.0 OE2 A:GLU171 3.7 54.0 1.0 CE A:LYS175 4.2 42.0 1.0 CB A:LYS174 4.3 24.8 1.0 CD A:LYS174 4.4 29.8 1.0 CD A:LYS175 4.6 32.5 1.0 CD A:GLU171 4.7 45.4 1.0 OE1 A:GLU171 4.8 36.2 1.0 O A:LYS174 5.0 27.1 1.0

S.Kordes, S.Romero-Romero, L.Lutz, B.Hocker. A Newly Introduced Salt Bridge Cluster Improves Structural and Biophysical Properties of De Novo Tim Barrels. Protein Sci. 2021.
ISSN: ESSN 1469-896X
PubMed: 34865275
DOI: 10.1002/PRO.4249