Chlorine in PDB 2b1p: Inhibitor Complex of JNK3

All present enzymatic activity of Inhibitor Complex of JNK3:
2.7.1.37;

The structure of Inhibitor Complex of JNK3, PDB code: 2b1p was solved by B.M.Swahn, F.Huerta, E.Kallin, J.Malmstrom, T.Weigelt, J.Viklund, P.Womack, Y.Xue, L.Ohberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.70 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.336, 71.935, 107.306, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 26.7

The binding sites of Chlorine atom in the Inhibitor Complex of JNK3 (pdb code 2b1p). 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 Inhibitor Complex of JNK3, PDB code: 2b1p:

Chlorine binding site 1 out of 1 in the Inhibitor Complex of JNK3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Inhibitor Complex of JNK3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:30.0 occ:1.00 CL28 A:AIZ501 0.0 30.0 1.0 C24 A:AIZ501 1.7 25.5 1.0 C21 A:AIZ501 2.7 25.6 1.0 C27 A:AIZ501 2.7 28.1 1.0 N18 A:AIZ501 2.9 25.0 1.0 O A:HOH562 3.1 48.4 1.0 O A:HOH597 3.4 33.2 1.0 O A:HOH526 3.5 32.7 1.0 NZ A:LYS93 3.8 27.2 1.0 CD A:LYS93 3.8 26.9 1.0 O A:HOH622 3.9 45.3 1.0 O A:LEU206 4.0 22.5 1.0 C31 A:AIZ501 4.0 26.3 1.0 C25 A:AIZ501 4.0 22.8 1.0 O A:HOH525 4.0 48.7 1.0 CB A:LEU206 4.0 22.7 1.0 CD1 A:ILE124 4.1 28.7 1.0 C14 A:AIZ501 4.2 24.4 1.0 CD1 A:LEU206 4.2 25.3 1.0 CE A:LYS93 4.5 27.8 1.0 C29 A:AIZ501 4.5 28.4 1.0 CG A:LEU206 4.6 23.3 1.0 CD2 A:LEU206 4.7 25.1 1.0 C A:LEU206 4.8 23.1 1.0 C10 A:AIZ501 4.8 25.5 1.0 CA A:LEU206 4.9 22.2 1.0 CE A:MET115 4.9 50.5 1.0

B.M.Swahn, F.Huerta, E.Kallin, J.Malmstrom, T.Weigelt, J.Viklund, P.Womack, Y.Xue, L.Ohberg. Design and Synthesis of 6-Anilinoindazoles As Selective Inhibitors of C-Jun N-Terminal Kinase-3 Bioorg.Med.Chem.Lett. V. 15 5095 2005.
ISSN: ISSN 0960-894X
PubMed: 16140012
DOI: 10.1016/J.BMCL.2005.06.083