Chlorine in PDB 7lq1: Human PI3KDELTA in Complex with Compound 28

All present enzymatic activity of Human PI3KDELTA in Complex with Compound 28:
2.7.1.137; 2.7.1.153;

The structure of Human PI3KDELTA in Complex with Compound 28, PDB code: 7lq1 was solved by C.A.Lesburg, M.Augustin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	86.35 / 2.96
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	90.551, 108.59, 142.424, 90, 90, 90
R / Rfree (%)	21.3 / 28.1

The binding sites of Chlorine atom in the Human PI3KDELTA in Complex with Compound 28 (pdb code 7lq1). 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 Human PI3KDELTA in Complex with Compound 28, PDB code: 7lq1:

Chlorine binding site 1 out of 1 in the Human PI3KDELTA in Complex with Compound 28


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human PI3KDELTA in Complex with Compound 28 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1102 b:76.2 occ:1.00 O A:PHE95 4.3 72.9 1.0 CE1 A:PHE95 4.5 71.3 1.0 CZ A:PHE95 4.6 73.7 1.0 CD2 A:LEU96 4.6 67.9 1.0 CZ B:PHE487 4.7 68.7 1.0

X.Fradera, Q.Deng, A.Achab, Y.Garcia, S.D.Kattar, M.A.Mcgowan, J.L.Methot, K.Wilson, H.Zhou, L.Shaffer, P.Goldenblatt, V.Tong, M.A.Augustin, M.D.Altman, C.A.Lesburg, S.Shah, J.D.Katz. Discovery of A New Series of PI3K-Delta Inhibitors From Virtual Screening. Bioorg.Med.Chem.Lett. V. 42 28046 2021.
ISSN: ESSN 1464-3405
PubMed: 33865969
DOI: 10.1016/J.BMCL.2021.128046