Fluorine in PDB 1zzl: Crystal Structure of P38 with Triazolopyridine

All present enzymatic activity of Crystal Structure of P38 with Triazolopyridine:
2.7.1.37;

The structure of Crystal Structure of P38 with Triazolopyridine, PDB code: 1zzl was solved by K.F.Mcclure, S.Han, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.457, 86.631, 122.857, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 27.3

The binding sites of Fluorine atom in the Crystal Structure of P38 with Triazolopyridine (pdb code 1zzl). 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 P38 with Triazolopyridine, PDB code: 1zzl:

Fluorine binding site 1 out of 1 in the Crystal Structure of P38 with Triazolopyridine


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 P38 with Triazolopyridine within 5.0Å range: probe atom residue distance (Å) B Occ A:F999 b:30.1 occ:1.00 F22 A:TZY999 0.0 30.1 1.0 C18 A:TZY999 1.3 26.1 1.0 C15 A:TZY999 2.3 26.3 1.0 C14 A:TZY999 2.4 25.3 1.0 N A:VAL105 3.1 28.8 1.0 C A:VAL105 3.2 28.6 1.0 C A:LEU104 3.2 29.6 1.0 CB A:LEU104 3.2 29.6 1.0 N A:THR106 3.5 29.6 1.0 O A:VAL105 3.5 26.5 1.0 O A:LEU104 3.5 28.1 1.0 CA A:VAL105 3.6 28.8 1.0 CB A:THR106 3.6 30.8 1.0 C11 A:TZY999 3.6 28.0 1.0 C10 A:TZY999 3.7 26.2 1.0 CD2 A:LEU86 3.7 32.9 1.0 CA A:LEU104 3.8 30.0 1.0 CG2 A:THR106 3.8 25.9 1.0 C5 A:TZY999 4.1 28.4 1.0 CA A:THR106 4.1 29.8 1.0 O A:ALA51 4.4 26.4 1.0 O A:GLY85 4.5 32.0 1.0 CG A:LEU104 4.5 30.8 1.0 CD1 A:LEU104 4.6 30.4 1.0 CD1 A:LEU75 4.6 24.7 1.0 OG1 A:THR106 4.8 29.6 1.0

K.F.Mcclure, Y.A.Abramov, E.R.Laird, J.T.Barberia, W.Cai, T.J.Carty, S.R.Cortina, D.E.Danley, A.J.Dipesa, K.M.Donahue, M.A.Dombroski, N.C.Elliott, C.A.Gabel, S.Han, T.R.Hynes, P.K.Lemotte, M.N.Mansour, E.S.Marr, M.A.Letavic, J.Pandit, D.B.Ripin, F.J.Sweeney, D.Tan, Y.Tao. Theoretical and Experimental Design of Atypical Kinase Inhibitors: Application to P38 Map Kinase. J.Med.Chem. V. 48 5728 2005.
ISSN: ISSN 0022-2623
PubMed: 16134941
DOI: 10.1021/JM050346Q