Chlorine in PDB 7bm9: Crystal Structure of 14-3-3 Sigma in Complex with CIP2APS904 Peptide

The structure of Crystal Structure of 14-3-3 Sigma in Complex with CIP2APS904 Peptide, PDB code: 7bm9 was solved by F.Centorrino, B.Andlovic, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.86 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.554, 112.317, 62.809, 90, 90, 90
R / Rfree (%)	13.9 / 18.7

The structure of Crystal Structure of 14-3-3 Sigma in Complex with CIP2APS904 Peptide also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of 14-3-3 Sigma in Complex with CIP2APS904 Peptide (pdb code 7bm9). 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 Crystal Structure of 14-3-3 Sigma in Complex with CIP2APS904 Peptide, PDB code: 7bm9:

Chlorine binding site 1 out of 1 in the Crystal Structure of 14-3-3 Sigma in Complex with CIP2APS904 Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of 14-3-3 Sigma in Complex with CIP2APS904 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:8.3 occ:1.00 HZ3 A:LYS9 2.3 4.1 1.0 HD3 A:LYS9 2.9 2.7 1.0 NZ A:LYS9 3.2 3.4 1.0 HZ2 A:LYS9 3.5 4.1 1.0 HZ A:PHE25 3.5 4.4 1.0 HE1 A:MET1 3.7 12.1 1.0 CD A:LYS9 3.7 2.3 1.0 HZ1 A:LYS9 3.7 4.1 1.0 CE A:LYS9 3.8 1.3 1.0 HE2 A:LYS9 3.9 1.6 1.0 HE1 A:PHE25 4.0 6.1 1.0 HD2 A:LYS9 4.0 2.7 1.0 CZ A:PHE25 4.2 3.7 1.0 HE2 A:MET1 4.4 12.1 1.0 CE1 A:PHE25 4.5 5.2 1.0 CE A:MET1 4.5 10.1 1.0 HE3 A:LYS9 4.7 1.6 1.0 O A:HOH805 4.8 24.4 1.0 HG2 A:LYS9 5.0 2.5 1.0 CG A:LYS9 5.0 2.1 1.0

H.J.Brink, J.R.Van Senten, I.J.De Vries-Van Leeuwen, D.Da Costa Pereira, S.R.Piersma, C.R.Jimenez, F.Centorrino, C.Ottmann, M.Siderius, M.J.Smit, A.H.De Boer. Fusicoccin-A Targets Cancerous Inhibitor of Protein Phosphatase 2A By Stabilizing A C-Terminal Interaction with 14-3-3. Acs Chem.Biol. V. 17 2972 2022.
ISSN: ESSN 1554-8937
PubMed: 36255265
DOI: 10.1021/ACSCHEMBIO.2C00299