Chlorine in PDB 2ghl: Mutant Mus Musculus P38 Kinase Domain in Complex with Inhibitor Pg- 874743

All present enzymatic activity of Mutant Mus Musculus P38 Kinase Domain in Complex with Inhibitor Pg- 874743:
2.7.1.37;

The structure of Mutant Mus Musculus P38 Kinase Domain in Complex with Inhibitor Pg- 874743, PDB code: 2ghl was solved by R.L.Walter, M.J.Mekel, A.G.Evdokimov, M.E.Pokross, T.A.Brugel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.45 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.261, 74.426, 76.938, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 30.1

The binding sites of Chlorine atom in the Mutant Mus Musculus P38 Kinase Domain in Complex with Inhibitor Pg- 874743 (pdb code 2ghl). 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 Mutant Mus Musculus P38 Kinase Domain in Complex with Inhibitor Pg- 874743, PDB code: 2ghl:

Chlorine binding site 1 out of 1 in the Mutant Mus Musculus P38 Kinase Domain in Complex with Inhibitor Pg- 874743


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mutant Mus Musculus P38 Kinase Domain in Complex with Inhibitor Pg- 874743 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:47.6 occ:1.00 CL28 A:LIB401 0.0 47.6 1.0 C24 A:LIB401 1.8 47.1 1.0 C25 A:LIB401 2.7 49.5 1.0 C20 A:LIB401 2.7 47.0 1.0 N19 A:LIB401 2.9 43.5 1.0 CG1 A:VAL30 3.4 56.8 1.0 O A:VAL30 3.6 56.9 1.0 C40 A:LIB401 3.7 38.8 1.0 CB A:VAL38 3.7 42.2 1.0 CA A:GLY31 3.8 57.7 1.0 C A:VAL30 3.8 56.7 1.0 N A:GLY31 3.9 57.1 1.0 CG1 A:VAL38 4.0 40.5 1.0 C22 A:LIB401 4.0 49.7 1.0 O45 A:LIB401 4.0 41.4 1.0 C23 A:LIB401 4.0 47.2 1.0 CG2 A:VAL38 4.0 42.8 1.0 C1 A:LIB401 4.1 40.2 1.0 N33 A:LIB401 4.2 33.4 1.0 C43 A:LIB401 4.2 38.3 1.0 C42 A:LIB401 4.3 39.6 1.0 C A:GLY31 4.4 57.9 1.0 CB A:VAL30 4.4 56.9 1.0 C26 A:LIB401 4.5 49.0 1.0 C46 A:LIB401 4.6 40.5 1.0 CA A:VAL30 4.7 56.5 1.0 O A:GLY31 4.7 57.8 1.0 N35 A:LIB401 4.7 34.6 1.0 O18 A:LIB401 4.7 40.8 1.0 O A:HOH655 4.8 57.4 1.0 N1 A:LIB401 4.8 38.7 1.0 C34 A:LIB401 4.9 35.5 1.0 C3 A:LIB401 5.0 34.0 1.0

T.A.Brugel, J.A.Maier, M.P.Clark, M.Sabat, A.Golebiowski, R.G.Bookland, M.J.Laufersweiler, S.K.Laughlin, J.C.Vanrens, B.De, L.C.Hsieh, M.J.Mekel, M.J.Janusz. Development of N-2,4-Pyrimidine-N-Phenyl-N'-Phenyl Ureas As Inhibitors of Tumor Necrosis Factor Alpha (Tnf-Alpha) Synthesis. Part 1. Bioorg.Med.Chem.Lett. V. 16 3510 2006.
ISSN: ISSN 0960-894X
PubMed: 16632356
DOI: 10.1016/J.BMCL.2006.03.095