Fluorine in PDB 7pvu: Crystal Structure of P38ALPHA C162S in Complex with CAS2094511-69-8, P 1 21 1

All present enzymatic activity of Crystal Structure of P38ALPHA C162S in Complex with CAS2094511-69-8, P 1 21 1:
2.7.11.24;

The structure of Crystal Structure of P38ALPHA C162S in Complex with CAS2094511-69-8, P 1 21 1, PDB code: 7pvu was solved by B.Baginski, J.Pous, L.Gonzalez, M.J.Macias, A.R.Nebreda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	79.70 / 2.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.141, 68.072, 79.98, 90, 94.78, 90
R / Rfree (%)	20.5 / 24

The binding sites of Fluorine atom in the Crystal Structure of P38ALPHA C162S in Complex with CAS2094511-69-8, P 1 21 1 (pdb code 7pvu). 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 Crystal Structure of P38ALPHA C162S in Complex with CAS2094511-69-8, P 1 21 1, PDB code: 7pvu:

Fluorine binding site 1 out of 1 in the Crystal Structure of P38ALPHA C162S in Complex with CAS2094511-69-8, P 1 21 1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of P38ALPHA C162S in Complex with CAS2094511-69-8, P 1 21 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:79.5 occ:1.00 F24 B:8DI401 0.0 79.5 1.0 C23 B:8DI401 1.3 79.1 1.0 C22 B:8DI401 2.4 78.2 1.0 C18 B:8DI401 2.4 80.8 1.0 O01 B:8DI401 2.8 87.0 1.0 S02 B:8DI401 2.9 87.3 1.0 O03 B:8DI401 3.0 86.7 1.0 C21 B:8DI401 3.6 76.4 1.0 C19 B:8DI401 3.6 76.4 1.0 CD1 B:LEU75 3.7 49.4 1.0 CG2 B:ILE84 4.1 49.0 1.0 CD2 B:LEU75 4.1 48.6 1.0 CE B:LYS53 4.1 60.7 1.0 C20 B:8DI401 4.1 75.0 1.0 OD1 B:ASP168 4.4 87.2 1.0 N04 B:8DI401 4.5 86.0 1.0 CG1 B:ILE84 4.5 51.4 1.0 CG B:LEU75 4.5 48.7 1.0 NZ B:LYS53 4.6 63.6 1.0 OE2 B:GLU71 4.7 53.3 1.0 CG2 B:THR106 4.8 51.0 1.0 CB B:ILE84 4.9 49.5 1.0

L.Gonzalez, A.R.Nebreda. Publication Not Yet Submitted To Be Published.