Chlorine in PDB 5csj: S100B-RSK1 Crystal Structure B

All present enzymatic activity of S100B-RSK1 Crystal Structure B:
2.7.11.1;

The structure of S100B-RSK1 Crystal Structure B, PDB code: 5csj was solved by G.Gogl, L.Nyitray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.12 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.960, 68.930, 91.490, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 27.6

The structure of S100B-RSK1 Crystal Structure B also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Chlorine atom in the S100B-RSK1 Crystal Structure B (pdb code 5csj). 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 S100B-RSK1 Crystal Structure B, PDB code: 5csj:

Chlorine binding site 1 out of 1 in the S100B-RSK1 Crystal Structure B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of S100B-RSK1 Crystal Structure B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl103 b:46.5 occ:1.00 NE2 B:HIS15 2.1 43.8 1.0 NE2 A:HIS85 2.2 57.1 1.0 O B:HOH207 2.3 44.8 1.0 O A:HOH202 2.6 59.1 1.0 CE1 B:HIS15 3.0 51.4 1.0 CE1 A:HIS85 3.0 57.7 1.0 CD2 B:HIS15 3.1 44.2 1.0 CD2 A:HIS85 3.2 51.2 1.0 ND1 B:HIS15 4.1 51.3 1.0 ND1 A:HIS85 4.1 49.8 1.0 CG B:HIS15 4.2 43.8 1.0 CG A:HIS85 4.2 44.6 1.0 ND1 B:HIS25 4.3 56.9 1.0 CE1 B:HIS25 4.7 59.6 1.0 O A:PHE88 4.9 87.7 1.0

G.Gogl, A.Alexa, B.Kiss, G.Katona, M.Kovacs, A.Bodor, A.Remenyi, L.Nyitray. Structural Basis of Ribosomal S6 Kinase 1 (RSK1) Inhibition By S100B Protein: Modulation of the Extracellular Signal-Regulated Kinase (Erk) Signaling Cascade in A Calcium-Dependent Way. J.Biol.Chem. V. 291 11 2016.
ISSN: ESSN 1083-351X
PubMed: 26527685
DOI: 10.1074/JBC.M115.684928