Chlorine in PDB 5fxr: 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: 5fxr 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)	28.98 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.252, 67.331, 122.166, 90.00, 90.00, 90.00
R / Rfree (%)	22.7 / 29.4

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

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:Cl2284 b:40.9 occ:1.00 CL A:8LN2284 0.0 40.9 1.0 C12 A:8LN2284 1.7 37.3 1.0 C11 A:8LN2284 2.6 37.0 1.0 C13 A:8LN2284 2.7 36.9 1.0 C15 A:8LN2284 3.0 37.8 1.0 C14 A:8LN2284 3.2 37.5 1.0 CB A:MET1079 3.8 38.5 1.0 CG A:MET1079 3.8 38.3 1.0 OD2 A:ASP1153 3.8 43.2 1.0 N5 A:8LN2284 3.9 36.5 1.0 N6 A:8LN2284 3.9 37.2 1.0 CB A:ALA1031 4.1 45.3 1.0 CB A:ASP1153 4.2 39.7 1.0 CD A:LYS1033 4.3 46.8 1.0 C10 A:8LN2284 4.3 36.8 1.0 N7 A:8LN2284 4.4 39.1 1.0 CG A:ASP1153 4.4 41.0 1.0 N8 A:8LN2284 4.5 36.8 1.0 CE A:MET1079 4.5 36.5 1.0 O A:GLU1080 4.6 37.0 1.0 CG A:LYS1033 4.6 46.3 1.0 CE A:MET1142 4.6 39.7 1.0 SD A:MET1142 4.8 40.1 1.0 CG1 A:VAL1063 5.0 35.2 1.0 SD A:MET1079 5.0 39.1 1.0 CE A:LYS1033 5.0 47.2 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