Chlorine in PDB 3wzd: Kdr in Complex with Ligand Lenvatinib

All present enzymatic activity of Kdr in Complex with Ligand Lenvatinib:
2.7.10.1;

The structure of Kdr in Complex with Ligand Lenvatinib, PDB code: 3wzd was solved by K.Okamoto, M.Ikemori_Kawada, A.Inoue, J.Matsui, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.15 / 1.57
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.334, 84.225, 46.892, 90.00, 100.20, 90.00
R / Rfree (%)	18.1 / 21.2

The binding sites of Chlorine atom in the Kdr in Complex with Ligand Lenvatinib (pdb code 3wzd). 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 Kdr in Complex with Ligand Lenvatinib, PDB code: 3wzd:

Chlorine binding site 1 out of 1 in the Kdr in Complex with Ligand Lenvatinib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Kdr in Complex with Ligand Lenvatinib within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1201 b:25.3 occ:1.00 CL A:LEV1201 0.0 25.3 1.0 C19 A:LEV1201 1.7 21.9 1.0 C18 A:LEV1201 2.7 21.7 1.0 C20 A:LEV1201 2.7 19.8 1.0 N23 A:LEV1201 3.0 19.9 1.0 CB A:LYS868 3.7 21.3 1.0 CG1 A:VAL916 3.8 20.1 1.0 CG2 A:VAL916 3.8 19.7 1.0 C17 A:LEV1201 4.0 22.0 1.0 C21 A:LEV1201 4.0 20.0 1.0 OE2 A:GLU885 4.1 26.5 1.0 CD A:LYS868 4.2 22.8 1.0 C24 A:LEV1201 4.2 19.8 1.0 CB A:VAL916 4.5 18.4 1.0 C22 A:LEV1201 4.5 20.4 1.0 CG1 A:VAL914 4.6 19.9 1.0 CG A:LYS868 4.6 21.7 1.0 O A:VAL914 4.6 19.3 1.0 N A:LYS868 4.7 16.7 1.0 CA A:LYS868 4.8 19.5 1.0 N26 A:LEV1201 4.9 21.8 1.0 CD1 A:LEU889 4.9 23.9 1.0 O A:HOH3004 4.9 37.6 1.0 O25 A:LEV1201 5.0 19.5 1.0 CB A:VAL914 5.0 18.0 1.0

K.Okamoto, M.Ikemori-Kawada, A.Jestel, K.Von Konig, Y.Funahashi, T.Matsushima, A.Tsuruoka, A.Inoue, J.Matsui. Distinct Binding Mode of Multikinase Inhibitor Lenvatinib Revealed By Biochemical Characterization. Acs Med.Chem.Lett. V. 6 89 2015.
ISSN: ISSN 1948-5875
PubMed: 25589937
DOI: 10.1021/ML500394M