Chlorine in PDB 2xb7: Structure of Human Anaplastic Lymphoma Kinase in Complex with Nvp- TAE684

All present enzymatic activity of Structure of Human Anaplastic Lymphoma Kinase in Complex with Nvp- TAE684:
2.7.10.1;

The structure of Structure of Human Anaplastic Lymphoma Kinase in Complex with Nvp- TAE684, PDB code: 2xb7 was solved by R.T.Bossi, M.B.Saccardo, E.Ardini, M.Menichincheri, L.Rusconi, P.Magnaghi, P.Orsini, G.Fogliatto, J.A.Bertrand, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.90 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.781, 57.307, 105.157, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 24.3

The binding sites of Chlorine atom in the Structure of Human Anaplastic Lymphoma Kinase in Complex with Nvp- TAE684 (pdb code 2xb7). 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 Structure of Human Anaplastic Lymphoma Kinase in Complex with Nvp- TAE684, PDB code: 2xb7:

Chlorine binding site 1 out of 1 in the Structure of Human Anaplastic Lymphoma Kinase in Complex with Nvp- TAE684


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human Anaplastic Lymphoma Kinase in Complex with Nvp- TAE684 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1501 b:31.9 occ:1.00 CL A:GUI1501 0.0 31.9 1.0 C1 A:GUI1501 1.7 31.9 1.0 C2 A:GUI1501 2.7 33.0 1.0 C6 A:GUI1501 2.7 32.6 1.0 N29 A:GUI1501 3.0 33.0 1.0 O41 A:GUI1501 3.3 39.3 1.0 CD1 A:LEU1196 3.4 28.4 1.0 N5 A:GUI1501 3.9 35.3 1.0 N3 A:GUI1501 4.0 32.4 1.0 O A:HOH2008 4.0 39.5 1.0 O A:GLY1269 4.1 29.0 1.0 CB A:LEU1196 4.1 27.7 1.0 CB A:ALA1148 4.3 33.4 1.0 CG A:LEU1196 4.4 27.9 1.0 CD1 A:LEU1256 4.4 22.0 1.0 C30 A:GUI1501 4.4 32.9 1.0 C4 A:GUI1501 4.5 34.6 1.0 S36 A:GUI1501 4.7 37.8 1.0 O A:GLU1197 4.8 27.2 1.0 CE A:LYS1150 4.9 38.1 1.0 CG1 A:VAL1180 4.9 29.2 1.0 CG A:LYS1150 5.0 32.5 1.0

R.T.Bossi, M.B.Saccardo, E.Ardini, M.Menichincheri, L.Rusconi, P.Magnaghi, P.Orsini, N.Avanzi, A.L.Borgia, M.Nesi, T.Bandiera, G.Fogliatto, J.A.Bertrand. Crystal Structures of Anaplastic Lymphoma Kinase in Complex with Atp Competitive Inhibitors. Biochemistry V. 49 6813 2010.
ISSN: ISSN 0006-2960
PubMed: 20695522
DOI: 10.1021/BI1005514