Chlorine in PDB 3lfa: Human P38 Map Kinase in Complex with Dasatinib

All present enzymatic activity of Human P38 Map Kinase in Complex with Dasatinib:
2.7.11.24;

The structure of Human P38 Map Kinase in Complex with Dasatinib, PDB code: 3lfa was solved by C.Gruetter, J.R.Simard, M.Getlik, D.Rauh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.060, 69.780, 74.570, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 25.4

The binding sites of Chlorine atom in the Human P38 Map Kinase in Complex with Dasatinib (pdb code 3lfa). 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 Human P38 Map Kinase in Complex with Dasatinib, PDB code: 3lfa:

Chlorine binding site 1 out of 1 in the Human P38 Map Kinase in Complex with Dasatinib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human P38 Map Kinase in Complex with Dasatinib within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl361 b:27.4 occ:1.00 CL A:1N1361 0.0 27.4 1.0 C5 A:1N1361 1.7 21.2 1.0 C6 A:1N1361 2.7 20.7 1.0 C4 A:1N1361 2.7 20.2 1.0 N2 A:1N1361 3.0 20.3 1.0 O A:ALA51 3.3 19.5 1.0 O A:LEU104 3.6 15.7 1.0 OG1 A:THR106 3.7 14.5 1.0 C3 A:1N1361 3.7 20.9 1.0 CB A:LYS53 3.7 19.4 1.0 CG2 A:THR106 3.8 16.6 1.0 C A:ALA51 3.8 19.5 1.0 CB A:ALA51 3.8 19.9 1.0 N A:LYS53 3.9 19.1 1.0 N A:THR106 3.9 16.8 1.0 C7 A:1N1361 4.0 20.8 1.0 C9 A:1N1361 4.0 19.2 1.0 O A:1N1361 4.1 17.6 1.0 C A:LEU104 4.1 17.1 1.0 CB A:THR106 4.2 16.2 1.0 C A:VAL52 4.3 19.6 1.0 CA A:VAL105 4.4 16.7 1.0 C A:VAL105 4.4 16.7 1.0 N A:VAL52 4.4 19.5 1.0 CA A:LYS53 4.4 19.5 1.0 CA A:ALA51 4.5 19.6 1.0 C8 A:1N1361 4.5 20.6 1.0 N A:VAL105 4.5 17.1 1.0 CA A:VAL52 4.5 19.1 1.0 CA A:THR106 4.6 16.9 1.0 C2 A:1N1361 4.7 23.2 1.0 CB A:LEU104 4.7 17.0 1.0 CG1 A:VAL38 4.8 26.5 1.0 O A:HOH438 4.9 22.8 1.0 CD A:LYS53 4.9 21.6 1.0 CG A:LYS53 4.9 19.4 1.0

M.Getlik, C.Gruetter, J.R.Simard, W.Van Otterlo, A.Robubi, B.Aust, D.Rauh. Development of Novel Thiazole-Urea Compounds Which Stabalize the Inactive Conformation of P38 Alpha To Be Published.