Chlorine in PDB 4ekl: AKT1 with GDC0068

All present enzymatic activity of AKT1 with GDC0068:
2.7.11.1;

The structure of AKT1 with GDC0068, PDB code: 4ekl was solved by W.-I.Wu, G.P.A.Vigers, T.H.Morales, B.J.Brandhuber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.29 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.031, 57.949, 151.610, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 23.5

The binding sites of Chlorine atom in the AKT1 with GDC0068 (pdb code 4ekl). 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 AKT1 with GDC0068, PDB code: 4ekl:

Chlorine binding site 1 out of 1 in the AKT1 with GDC0068


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of AKT1 with GDC0068 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:44.9 occ:1.00 CL1 A:0RF501 0.0 44.9 1.0 C26 A:0RF501 1.7 36.6 1.0 C27 A:0RF501 2.7 33.5 1.0 C25 A:0RF501 2.7 35.6 1.0 O A:HOH875 3.4 48.5 1.0 C A:GLY162 3.6 37.7 1.0 N A:LYS163 3.7 35.4 1.0 CG A:LYS179 3.8 31.2 1.0 O A:GLY162 3.8 35.1 1.0 CD A:LYS179 3.9 35.6 1.0 CE A:LYS179 4.0 37.3 1.0 C28 A:0RF501 4.0 32.5 1.0 C24 A:0RF501 4.0 31.9 1.0 CA A:GLY162 4.1 40.3 1.0 CG2 A:VAL164 4.1 26.7 1.0 CD2 A:LEU181 4.2 30.9 1.0 CA A:LYS163 4.2 34.3 1.0 C A:LYS163 4.2 31.8 1.0 N A:GLY162 4.2 43.5 1.0 O A:LYS163 4.2 31.9 1.0 C21 A:0RF501 4.5 33.9 1.0 N A:GLY159 4.5 41.2 1.0 NZ A:LYS179 4.8 37.8 1.0 CA A:GLY159 4.8 44.3 1.0 N A:VAL164 4.8 29.7 1.0 CB A:LYS179 4.9 26.9 1.0

K.Lin, J.Lin, W.I.Wu, J.Ballard, B.B.Lee, S.L.Gloor, G.P.Vigers, T.H.Morales, L.S.Friedman, N.Skelton, B.J.Brandhuber. An Atp-Site on-Off Switch That Restricts Phosphatase Accessibility of Akt. Sci.Signal. V. 5 RA37 2012.
ISSN: ESSN 1937-9145
PubMed: 22569334
DOI: 10.1126/SCISIGNAL.2002618