Chlorine in PDB 5fxq: Igfr-1R Complex with A Pyrimidine Inhibitor.

All present enzymatic activity of Igfr-1R Complex with A Pyrimidine Inhibitor.:
2.7.10.1;

The structure of Igfr-1R Complex with A Pyrimidine Inhibitor., PDB code: 5fxq was solved by S.Degorce, S.Boyd, J.Curwen, R.Ducray, C.Halsall, C.Jones, F.Lach, E.Lenz, M.Pass, S.Pass, C.Trigwell, R.Norman, C.Phillips, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.26 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.932, 66.798, 121.479, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / 27.5

The binding sites of Chlorine atom in the Igfr-1R Complex with A Pyrimidine Inhibitor. (pdb code 5fxq). 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 Igfr-1R Complex with A Pyrimidine Inhibitor., PDB code: 5fxq:

Chlorine binding site 1 out of 1 in the Igfr-1R Complex with A Pyrimidine Inhibitor.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Igfr-1R Complex with A Pyrimidine Inhibitor. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2287 b:45.1 occ:1.00 CL A:GD52287 0.0 45.1 1.0 C12 A:GD52287 1.7 39.1 1.0 C11 A:GD52287 2.6 37.8 1.0 C13 A:GD52287 2.8 37.0 1.0 C15 A:GD52287 3.0 37.3 1.0 C14 A:GD52287 3.2 38.8 1.0 CB A:MET1079 3.6 43.0 1.0 CG A:MET1079 3.6 43.4 1.0 OD2 A:ASP1153 3.7 47.0 1.0 N5 A:GD52287 3.9 38.5 1.0 N6 A:GD52287 4.0 36.1 1.0 CE A:MET1142 4.1 48.2 1.0 CB A:ASP1153 4.1 42.9 1.0 CB A:ALA1031 4.1 45.2 1.0 CG A:ASP1153 4.2 44.5 1.0 C10 A:GD52287 4.3 38.5 1.0 N7 A:GD52287 4.4 39.6 1.0 O A:GLU1080 4.4 40.9 1.0 CE A:MET1079 4.5 42.5 1.0 CD A:LYS1033 4.6 48.0 1.0 N8 A:GD52287 4.6 39.4 1.0 CG A:LYS1033 4.6 46.7 1.0 CE A:LYS1033 4.8 48.4 1.0 SD A:MET1079 4.9 45.9 1.0 CG1 A:VAL1063 4.9 33.4 1.0

S.L.Degorce, S.Boyd, J.O.Curwen, R.Ducray, C.T.Halsall, C.D.Jones, F.Lach, E.M.Lenz, M.Pass, S.Pass, C.Trigwell. Discovery of A Potent, Selective, Orally Bioavailable, and Efficacious Novel 2-(Pyrazol-4-Ylamino)-Pyrimidine Inhibitor of the Insulin-Like Growth Factor-1 Receptor (Igf-1R). J. Med. Chem. V. 59 4859 2016.
ISSN: ISSN 1520-4804
PubMed: 27078757
DOI: 10.1021/ACS.JMEDCHEM.6B00203