Fluorine in PDB 1a9u: The Complex Structure of the Map Kinase P38/SB203580

The structure of The Complex Structure of the Map Kinase P38/SB203580, PDB code: 1a9u was solved by Z.Wang, B.Canagarajah, J.C.Boehm, S.Kassis, M.H.Cobb, P.R.Young, S.Abdel-Meguid, J.L.Adams, E.J.Goldsmith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.480, 85.030, 123.130, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 24

The binding sites of Fluorine atom in the The Complex Structure of the Map Kinase P38/SB203580 (pdb code 1a9u). 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 The Complex Structure of the Map Kinase P38/SB203580, PDB code: 1a9u:

Fluorine binding site 1 out of 1 in the The Complex Structure of the Map Kinase P38/SB203580


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Complex Structure of the Map Kinase P38/SB203580 within 5.0Å range: probe atom residue distance (Å) B Occ A:F800 b:53.0 occ:1.00 FD3 A:SB2800 0.0 53.0 1.0 CD3 A:SB2800 1.4 51.6 1.0 CD2 A:SB2800 2.4 52.8 1.0 CD4 A:SB2800 2.4 49.8 1.0 C A:VAL105 3.2 25.1 1.0 CB A:THR106 3.2 29.4 1.0 N A:VAL105 3.3 26.0 1.0 O A:VAL105 3.3 25.7 1.0 CB A:LEU104 3.4 23.0 1.0 N A:THR106 3.4 24.9 1.0 CD2 A:LEU86 3.5 24.3 1.0 C A:LEU104 3.5 24.8 1.0 CD1 A:SB2800 3.7 50.9 1.0 CD5 A:SB2800 3.7 49.1 1.0 CA A:VAL105 3.7 24.7 1.0 CG2 A:THR106 3.8 26.8 1.0 CA A:THR106 3.8 28.3 1.0 CA A:LEU104 3.9 23.5 1.0 O A:LEU104 3.9 26.3 1.0 CD6 A:SB2800 4.2 51.2 1.0 OG1 A:THR106 4.3 35.0 1.0 CD2 A:LEU75 4.4 18.0 1.0 CG A:LEU104 4.6 22.3 1.0 CG A:LEU86 4.7 27.3 1.0 O A:GLY85 4.7 26.9 1.0 CD1 A:LEU104 4.8 21.4 1.0 O A:ALA51 4.9 32.0 1.0 CG A:LEU75 5.0 22.6 1.0 CA A:LEU86 5.0 28.1 1.0

Z.Wang, B.J.Canagarajah, J.C.Boehm, S.Kassisa, M.H.Cobb, P.R.Young, S.Abdel-Meguid, J.L.Adams, E.J.Goldsmith. Structural Basis of Inhibitor Selectivity in Map Kinases. Structure V. 6 1117 1998.
ISSN: ISSN 0969-2126
PubMed: 9753691
DOI: 10.1016/S0969-2126(98)00113-0