Chlorine in PDB 4mkc: Crystal Structure of Anaplastic Lymphoma Kinase Complexed with LDK378

All present enzymatic activity of Crystal Structure of Anaplastic Lymphoma Kinase Complexed with LDK378:
2.7.10.1;

The structure of Crystal Structure of Anaplastic Lymphoma Kinase Complexed with LDK378, PDB code: 4mkc was solved by C.C.Lee, G.Spraggon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.42 / 2.01
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.640, 57.650, 105.990, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 21.8

The binding sites of Chlorine atom in the Crystal Structure of Anaplastic Lymphoma Kinase Complexed with LDK378 (pdb code 4mkc). 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 Anaplastic Lymphoma Kinase Complexed with LDK378, PDB code: 4mkc:

Chlorine binding site 1 out of 1 in the Crystal Structure of Anaplastic Lymphoma Kinase Complexed with LDK378


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 Anaplastic Lymphoma Kinase Complexed with LDK378 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1503 b:28.1 occ:1.00 CL1 A:4MK1503 0.0 28.1 1.0 C22 A:4MK1503 1.7 27.9 1.0 C24 A:4MK1503 2.7 25.1 1.0 C21 A:4MK1503 2.7 28.8 1.0 N25 A:4MK1503 3.0 24.4 1.0 CD1 A:LEU1196 3.4 29.5 1.0 O33 A:4MK1503 3.6 35.1 1.0 CB A:ALA1148 3.9 26.8 1.0 CB A:LEU1196 3.9 24.0 1.0 N38 A:4MK1503 3.9 24.3 1.0 N20 A:4MK1503 4.0 29.9 1.0 CD1 A:LEU1256 4.0 30.1 1.0 CG A:LEU1196 4.3 30.0 1.0 C26 A:4MK1503 4.4 29.1 1.0 O A:GLY1269 4.4 32.2 1.0 C19 A:4MK1503 4.5 24.9 1.0 O A:HOH1608 4.5 36.2 1.0 O A:GLU1197 4.5 25.6 1.0 C37 A:4MK1503 4.7 38.8 1.0 S32 A:4MK1503 4.8 36.3 1.0 CG2 A:VAL1180 4.9 27.1 1.0

L.Friboulet, N.Li, R.Katayama, C.C.Lee, J.F.Gainor, A.S.Crystal, P.Y.Michellys, M.M.Awad, N.Yanagitani, S.Kim, A.C.Pferdekamper, J.Li, S.Kasibhatla, F.Sun, X.Sun, S.Hua, P.Mcnamara, S.Mahmood, E.L.Lockerman, N.Fujita, M.Nishio, J.L.Harris, A.T.Shaw, J.A.Engelman. The Alk Inhibitor Ceritinib Overcomes Crizotinib Resistance in Non-Small Cell Lung Cancer. Cancer Discov V. 4 662 2014.
ISSN: ISSN 2159-8274
PubMed: 24675041
DOI: 10.1158/2159-8290.CD-13-0846