Chlorine in PDB 5fxs: 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: 5fxs 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)	38.71 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.820, 66.110, 122.110, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 21.4

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

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:Cl2290 b:28.1 occ:1.00 CL36 A:OZN2290 0.0 28.1 1.0 C24 A:OZN2290 1.7 18.3 1.0 C23 A:OZN2290 2.7 17.6 1.0 C25 A:OZN2290 2.7 16.1 1.0 C28 A:OZN2290 3.0 16.2 1.0 C27 A:OZN2290 3.1 15.2 1.0 OD2 A:ASP1153 3.5 21.1 1.0 CG A:MET1079 3.6 13.0 1.0 CB A:MET1079 3.6 11.5 1.0 N22 A:OZN2290 3.9 15.8 1.0 N26 A:OZN2290 3.9 14.8 1.0 CB A:ASP1153 4.0 17.3 1.0 CB A:ALA1031 4.2 11.2 1.0 CG A:ASP1153 4.2 18.5 1.0 N29 A:OZN2290 4.3 15.3 1.0 C21 A:OZN2290 4.3 15.5 1.0 CD A:LYS1033 4.4 15.9 1.0 C31 A:OZN2290 4.5 15.7 1.0 CE A:MET1142 4.5 16.5 1.0 CG A:LYS1033 4.6 13.4 1.0 CE A:MET1079 4.7 17.1 1.0 O A:GLU1080 4.7 10.6 1.0 SD A:MET1142 4.8 17.8 1.0 SD A:MET1079 4.9 16.8 1.0 CE A:LYS1033 5.0 17.2 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