Chlorine in PDB 5jfx: Crystal Structure of Trka in Complex with Pf-06273340

All present enzymatic activity of Crystal Structure of Trka in Complex with Pf-06273340:
2.7.10.1;

The structure of Crystal Structure of Trka in Complex with Pf-06273340, PDB code: 5jfx was solved by J.Jayasankar, R.Kurumbail, S.Skerratt, D.Brown, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.86 / 1.63
Space group	P 64
Cell size a, b, c (Å), α, β, γ (°)	125.013, 125.013, 46.216, 90.00, 90.00, 120.00
R / Rfree (%)	20.1 / 23.2

The binding sites of Chlorine atom in the Crystal Structure of Trka in Complex with Pf-06273340 (pdb code 5jfx). 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 Crystal Structure of Trka in Complex with Pf-06273340, PDB code: 5jfx:

Chlorine binding site 1 out of 1 in the Crystal Structure of Trka in Complex with Pf-06273340


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Trka in Complex with Pf-06273340 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4000 b:19.0 occ:1.00 CL A:6K44000 0.0 19.0 1.0 C23 A:6K44000 1.7 18.1 1.0 C22 A:6K44000 2.7 17.0 1.0 C25 A:6K44000 2.8 16.9 1.0 CD1 A:LEU641 3.6 13.3 1.0 CD2 A:LEU641 3.9 14.6 1.0 CD1 A:LEU567 3.9 22.4 1.0 CD2 A:HIS648 3.9 15.6 1.0 CE1 A:PHE646 4.0 18.8 1.0 N26 A:6K44000 4.0 18.6 1.0 CG2 A:ILE572 4.0 16.6 1.0 C21 A:6K44000 4.0 13.7 1.0 O A:ILE666 4.1 12.2 1.0 CD1 A:ILE572 4.2 14.6 1.0 CZ A:PHE646 4.3 19.6 1.0 CG A:LEU641 4.4 14.5 1.0 CG2 A:ILE666 4.4 12.2 1.0 C20 A:6K44000 4.5 16.0 1.0 NE2 A:HIS648 4.5 14.3 1.0 CD1 A:PHE646 4.6 17.6 1.0 C A:ILE666 4.7 12.6 1.0 CB A:ILE666 4.9 12.7 1.0 CA A:GLY667 4.9 11.4 1.0 CG1 A:ILE572 5.0 14.2 1.0

S.E.Skerratt, M.Andrews, S.K.Bagal, J.Bilsland, D.Brown, P.J.Bungay, S.Cole, K.R.Gibson, R.Jones, I.Morao, A.Nedderman, K.Omoto, C.Robinson, T.Ryckmans, K.Skinner, P.Stupple, G.Waldron. The Discovery of A Potent, Selective, and Peripherally Restricted Pan-Trk Inhibitor (Pf-06273340) For the Treatment of Pain. J. Med. Chem. V. 59 10084 2016.
ISSN: ISSN 1520-4804
PubMed: 27766865
DOI: 10.1021/ACS.JMEDCHEM.6B00850