Fluorine in PDB 3uib: Map Kinase LMAMPK10 From Leishmania Major in Complex with SB203580

All present enzymatic activity of Map Kinase LMAMPK10 From Leishmania Major in Complex with SB203580:
2.7.11.1;

The structure of Map Kinase LMAMPK10 From Leishmania Major in Complex with SB203580, PDB code: 3uib was solved by S.Horjales, D.Schmidt-Arras, O.Leclercq, G.Spath, A.Buschiazzo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.09 / 2.65
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	80.900, 80.900, 131.020, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 24.1

The binding sites of Fluorine atom in the Map Kinase LMAMPK10 From Leishmania Major in Complex with SB203580 (pdb code 3uib). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Map Kinase LMAMPK10 From Leishmania Major in Complex with SB203580, PDB code: 3uib:

Fluorine binding site 1 out of 1 in the Map Kinase LMAMPK10 From Leishmania Major in Complex with SB203580


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Map Kinase LMAMPK10 From Leishmania Major in Complex with SB203580 within 5.0Å range: probe atom residue distance (Å) B Occ A:F362 b:80.7 occ:1.00 FD3 A:SB2362 0.0 80.7 1.0 CD3 A:SB2362 1.3 82.4 1.0 CD4 A:SB2362 2.4 83.0 1.0 CD2 A:SB2362 2.4 83.1 1.0 CB A:LEU110 3.1 93.1 1.0 CG2 A:THR112 3.4 86.5 1.0 CD5 A:SB2362 3.6 83.7 1.0 CD1 A:SB2362 3.7 83.8 1.0 CD2 A:LEU93 3.7 76.1 1.0 C A:LEU110 3.8 95.4 1.0 O A:LEU110 3.9 94.9 1.0 CD1 A:LEU110 3.9 96.6 1.0 CG A:LEU110 4.0 97.4 1.0 CA A:LEU110 4.1 94.1 1.0 N A:VAL111 4.1 90.4 1.0 CD6 A:SB2362 4.1 84.6 1.0 OG1 A:THR112 4.2 87.6 1.0 CD1 A:LEU82 4.3 64.4 1.0 CB A:THR112 4.4 89.1 1.0 C A:VAL111 4.4 91.2 1.0 CB A:LYS51 4.5 0.5 1.0 N A:THR112 4.5 86.2 1.0 O A:VAL111 4.6 90.1 1.0 CD2 A:LEU110 4.6 99.8 1.0 CA A:VAL111 4.6 90.2 1.0 CD A:LYS51 4.8 0.9 1.0

S.Horjales, D.Schmidt-Arras, R.R.Limardo, O.Leclercq, G.Obal, E.Prina, A.G.Turjanski, G.F.Spath, A.Buschiazzo. The Crystal Structure of the Map Kinase LMAMPK10 From Leishmania Major Reveals Parasite-Specific Features and Regulatory Mechanisms. Structure V. 20 1649 2012.
ISSN: ISSN 0969-2126
PubMed: 22884419
DOI: 10.1016/J.STR.2012.07.005