Chlorine in PDB 7p12: DENOVOTIM13-Sb, A De Novo Designed Tim Barrel with A Salt-Bridge Cluster

The structure of DENOVOTIM13-Sb, A De Novo Designed Tim Barrel with A Salt-Bridge Cluster, PDB code: 7p12 was solved by S.Kordes, S.Romero-Romero, B.Hocker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.65 / 1.69
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	39.4, 39.47, 39.4, 113.32, 102.02, 113.3
R / Rfree (%)	26.6 / 31.5

The binding sites of Chlorine atom in the DENOVOTIM13-Sb, A De Novo Designed Tim Barrel with A Salt-Bridge Cluster (pdb code 7p12). 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 DENOVOTIM13-Sb, A De Novo Designed Tim Barrel with A Salt-Bridge Cluster, PDB code: 7p12:

Chlorine binding site 1 out of 1 in the DENOVOTIM13-Sb, A De Novo Designed Tim Barrel with A Salt-Bridge Cluster


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of DENOVOTIM13-Sb, A De Novo Designed Tim Barrel with A Salt-Bridge Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:62.9 occ:1.00 CG2 A:ILE89 4.1 45.6 1.0 CD1 A:ILE135 4.1 42.6 1.0 CD1 A:ILE89 4.1 44.0 1.0 CD A:ARG24 4.2 68.0 1.0 CD1 A:ILE43 4.2 42.2 1.0 CD1 A:ILE181 4.3 41.4 1.0 CG2 A:ILE43 4.3 49.4 1.0 CG2 A:ILE135 4.4 49.3 1.0 CG2 A:ILE181 4.5 47.5 1.0 CG A:ARG70 4.6 60.2 1.0 CG A:ARG24 4.8 63.0 1.0 CB A:ARG116 5.0 60.0 1.0 CB A:ARG70 5.0 57.6 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