Chlorine in PDB 3bgp: Human Pim-1 Complexed with A Benzoisoxazole Inhibitor VX1

All present enzymatic activity of Human Pim-1 Complexed with A Benzoisoxazole Inhibitor VX1:
2.7.11.1;

The structure of Human Pim-1 Complexed with A Benzoisoxazole Inhibitor VX1, PDB code: 3bgp was solved by M.D.Jacobs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	16.48 / 2.80
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	96.330, 96.330, 80.600, 90.00, 90.00, 120.00
R / Rfree (%)	24.6 / 28.1

The binding sites of Chlorine atom in the Human Pim-1 Complexed with A Benzoisoxazole Inhibitor VX1 (pdb code 3bgp). 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 Pim-1 Complexed with A Benzoisoxazole Inhibitor VX1, PDB code: 3bgp:

Chlorine binding site 1 out of 1 in the Human Pim-1 Complexed with A Benzoisoxazole Inhibitor VX1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Pim-1 Complexed with A Benzoisoxazole Inhibitor VX1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl314 b:0.3 occ:1.00 CL19 A:VX1314 0.0 0.3 1.0 C18 A:VX1314 1.7 0.2 1.0 C20 A:VX1314 2.7 0.5 1.0 C17 A:VX1314 2.7 0.2 1.0 O A:HOH354 3.5 57.6 1.0 OD2 A:ASP131 3.6 57.0 1.0 OD2 A:ASP128 3.6 60.2 1.0 C21 A:VX1314 4.0 0.5 1.0 C16 A:VX1314 4.0 0.9 1.0 C15 A:VX1314 4.6 0.6 1.0 O A:HOH374 4.7 68.6 1.0 CG A:ASP128 4.7 60.4 1.0 CG A:ASP131 4.8 58.2 1.0 O A:LEU44 4.9 82.8 1.0

A.C.Pierce, M.Jacobs, C.Stuver-Moody. Docking Study Yields Four Novel Inhibitors of the Protooncogene Pim-1 Kinase. J.Med.Chem. V. 51 1972 2008.
ISSN: ISSN 0022-2623
PubMed: 18290603
DOI: 10.1021/JM701248T