Chlorine in PDB 5i4u: The Crystal Structure of PI3KDELTA with Compound 34

All present enzymatic activity of The Crystal Structure of PI3KDELTA with Compound 34:
2.7.1.153;

The structure of The Crystal Structure of PI3KDELTA with Compound 34, PDB code: 5i4u was solved by J.R.Somoza, A.G.Villasenor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.89 / 2.37
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	64.272, 143.482, 221.053, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 29

The binding sites of Chlorine atom in the The Crystal Structure of PI3KDELTA with Compound 34 (pdb code 5i4u). 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 The Crystal Structure of PI3KDELTA with Compound 34, PDB code: 5i4u:

Chlorine binding site 1 out of 1 in the The Crystal Structure of PI3KDELTA with Compound 34


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of PI3KDELTA with Compound 34 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1101 b:56.9 occ:1.00 CL1 A:67T1101 0.0 56.9 1.0 C06 A:67T1101 1.7 42.8 1.0 C01 A:67T1101 2.7 41.5 1.0 C05 A:67T1101 2.8 41.9 1.0 O12 A:67T1101 2.9 47.4 1.0 C10 A:67T1101 3.2 47.2 1.0 C A:PHE751 3.4 42.9 1.0 O A:PHE751 3.5 41.4 1.0 N A:MET752 3.5 41.7 1.0 CG2 A:THR750 3.6 36.4 1.0 CB A:TRP760 3.9 36.6 1.0 CA A:MET752 3.9 45.8 1.0 C02 A:67T1101 4.0 41.6 1.0 C04 A:67T1101 4.0 42.4 1.0 CA A:PHE751 4.1 41.0 1.0 CB A:MET752 4.2 49.2 1.0 N A:PHE751 4.2 41.7 1.0 CE3 A:TRP760 4.2 38.6 1.0 CG A:TRP760 4.4 40.9 1.0 CD2 A:TRP760 4.4 35.9 1.0 O A:HOH1275 4.5 47.5 1.0 C03 A:67T1101 4.5 37.7 1.0 N09 A:67T1101 4.6 42.4 1.0 C A:THR750 4.7 42.6 1.0 CB A:THR750 4.8 37.9 1.0 OG1 A:THR750 4.9 43.7 1.0 CG A:MET752 5.0 51.7 1.0

J.R.Somoza, G.A.Villasenor. The Design and Synthesis of Potent, Selective and Metabolically Stable PI3K[Delta] Inhibitors To Be Published.