Chlorine in PDB 2p33: Synthesis and Sar of Aminopyrimidines As Novel C-Jun N-Terminal Kinase (Jnk) Inhibitors

All present enzymatic activity of Synthesis and Sar of Aminopyrimidines As Novel C-Jun N-Terminal Kinase (Jnk) Inhibitors:
2.7.11.24;

The structure of Synthesis and Sar of Aminopyrimidines As Novel C-Jun N-Terminal Kinase (Jnk) Inhibitors, PDB code: 2p33 was solved by T.A.Ceska, A.Platt, M.Fortunato, K.M.Dickson, A.Sharpe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.84 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.820, 71.520, 107.360, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Chlorine atom in the Synthesis and Sar of Aminopyrimidines As Novel C-Jun N-Terminal Kinase (Jnk) Inhibitors (pdb code 2p33). 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 Synthesis and Sar of Aminopyrimidines As Novel C-Jun N-Terminal Kinase (Jnk) Inhibitors, PDB code: 2p33:

Chlorine binding site 1 out of 1 in the Synthesis and Sar of Aminopyrimidines As Novel C-Jun N-Terminal Kinase (Jnk) Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Synthesis and Sar of Aminopyrimidines As Novel C-Jun N-Terminal Kinase (Jnk) Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:17.6 occ:1.00 CL1 A:J07507 0.0 17.6 1.0 C16 A:J07507 1.7 31.0 1.0 C17 A:J07507 2.7 32.6 1.0 C15 A:J07507 2.9 32.1 1.0 C28 A:J07507 3.2 34.5 1.0 SD A:MET146 3.4 45.5 1.0 C20 A:J07507 3.4 32.3 1.0 CE A:MET146 3.7 44.3 1.0 CG1 A:ILE124 3.9 31.5 1.0 CD2 A:LEU206 4.0 27.7 1.0 N18 A:J07507 4.0 32.8 1.0 CB A:MET146 4.0 36.5 1.0 CD1 A:ILE124 4.1 29.5 1.0 N14 A:J07507 4.1 32.5 1.0 CB A:ALA91 4.2 35.4 1.0 CG A:MET146 4.4 41.5 1.0 O A:GLU147 4.4 30.6 1.0 N27 A:J07507 4.5 36.0 1.0 C13 A:J07507 4.5 33.3 1.0 C21 A:J07507 4.8 34.2 1.0

M.Alam, R.E.Beevers, T.Ceska, R.J.Davenport, K.M.Dickson, M.Fortunato, L.Gowers, A.F.Haughan, L.A.James, M.W.Jones, N.Kinsella, C.Lowe, J.W.Meissner, A.L.Nicolas, B.G.Perry, D.J.Phillips, W.R.Pitt, A.Platt, A.J.Ratcliffe, A.Sharpe, L.J.Tait. Synthesis and Sar of Aminopyrimidines As Novel C-Jun N-Terminal Kinase (Jnk) Inhibitors Bioorg.Med.Chem.Lett. V. 17 3463 2007.
ISSN: ISSN 0960-894X
PubMed: 17459703
DOI: 10.1016/J.BMCL.2007.03.078