Chlorine in PDB 6hhg: Crystal Structure of AKT1 in Complex with Covalent-Allosteric Akt Inhibitor 27

All present enzymatic activity of Crystal Structure of AKT1 in Complex with Covalent-Allosteric Akt Inhibitor 27:
2.7.11.1;

The structure of Crystal Structure of AKT1 in Complex with Covalent-Allosteric Akt Inhibitor 27, PDB code: 6hhg was solved by I.Landel, J.Weisner, M.P.Mueller, R.Scheinpflug, D.Rauh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.62 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.820, 71.230, 91.240, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 24.6

The binding sites of Chlorine atom in the Crystal Structure of AKT1 in Complex with Covalent-Allosteric Akt Inhibitor 27 (pdb code 6hhg). 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 AKT1 in Complex with Covalent-Allosteric Akt Inhibitor 27, PDB code: 6hhg:

Chlorine binding site 1 out of 1 in the Crystal Structure of AKT1 in Complex with Covalent-Allosteric Akt Inhibitor 27


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 AKT1 in Complex with Covalent-Allosteric Akt Inhibitor 27 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:0.2 occ:1.00 CL A:G4T501 0.0 0.2 1.0 CBI A:G4T501 1.7 97.8 1.0 CAO A:G4T501 2.7 93.2 1.0 CBM A:G4T501 2.7 95.6 1.0 NBC A:G4T501 2.9 95.8 1.0 O A:HOH622 3.4 71.8 1.0 O A:GLU17 3.7 61.6 1.0 CBF A:G4T501 3.8 94.5 1.0 CA A:GLU17 3.9 60.5 1.0 CAP A:G4T501 4.0 91.1 1.0 CAT A:G4T501 4.0 89.0 1.0 C A:GLU17 4.2 57.5 1.0 O A:HOH639 4.3 57.0 1.0 OAB A:G4T501 4.3 96.4 1.0 O A:GLU85 4.4 58.2 1.0 O A:GLY16 4.4 50.3 1.0 CB A:GLU17 4.4 60.2 1.0 O A:HOH630 4.5 54.3 1.0 CBJ A:G4T501 4.5 83.8 1.0 CAF A:G4T501 4.6 93.5 1.0 CG A:GLU17 4.7 71.8 1.0 N A:GLU17 4.9 52.4 1.0

N.Uhlenbrock, S.Smith, J.Weisner, I.Landel, M.Lindemann, T.A.Le, J.Hardick, R.Gontla, R.Scheinpflug, P.Czodrowski, P.Janning, L.Depta, L.Quambusch, M.P.Muller, B.Engels, D.Rauh. Structural and Chemical Insights Into the Covalent-Allosteric Inhibition of the Protein Kinase Akt. Chem Sci V. 10 3573 2019.
ISSN: ISSN 2041-6520
PubMed: 30996949
DOI: 10.1039/C8SC05212C