Fluorine in PDB 3hvc: Crystal Structure of Human P38ALPHA Map Kinase

All present enzymatic activity of Crystal Structure of Human P38ALPHA Map Kinase:
2.7.11.24;

The structure of Crystal Structure of Human P38ALPHA Map Kinase, PDB code: 3hvc was solved by J.J.Perry, J.A.Tainer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.35 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.940, 74.690, 77.110, 90.00, 90.00, 90.00
R / Rfree (%)	22.6 / 26.7

The binding sites of Fluorine atom in the Crystal Structure of Human P38ALPHA Map Kinase (pdb code 3hvc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Human P38ALPHA Map Kinase, PDB code: 3hvc:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Human P38ALPHA Map Kinase


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 Human P38ALPHA Map Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:F361 b:26.4 occ:1.00 F19 A:GG5361 0.0 26.4 1.0 C16 A:GG5361 1.3 26.5 1.0 C17 A:GG5361 2.4 24.2 1.0 C15 A:GG5361 2.4 27.1 1.0 CB A:LEU104 3.1 18.8 1.0 C A:LEU104 3.2 19.9 1.0 N A:VAL105 3.3 18.0 1.0 O A:LEU104 3.3 19.5 1.0 C A:VAL105 3.4 19.4 1.0 CA A:VAL105 3.7 19.9 1.0 C18 A:GG5361 3.7 23.9 1.0 C14 A:GG5361 3.7 23.8 1.0 O A:VAL105 3.7 20.4 1.0 CA A:LEU104 3.7 18.0 1.0 N A:THR106 3.7 22.4 1.0 CB A:THR106 3.8 23.0 1.0 CD2 A:LEU86 3.8 34.2 1.0 CG2 A:THR106 4.0 20.8 1.0 CD2 A:LEU75 4.2 34.1 1.0 C13 A:GG5361 4.2 23.5 1.0 CA A:THR106 4.3 22.6 1.0 CG A:LEU104 4.4 20.4 1.0 O A:ALA51 4.5 25.7 1.0 CD1 A:LEU104 4.6 19.8 1.0 CB A:LYS53 4.9 25.7 1.0 OG1 A:THR106 4.9 24.6 1.0 N A:LEU104 4.9 20.1 1.0 O A:GLY85 4.9 29.4 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Human P38ALPHA Map Kinase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human P38ALPHA Map Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:F362 b:35.0 occ:1.00 F19 A:GG5362 0.0 35.0 1.0 C16 A:GG5362 1.3 33.0 1.0 C17 A:GG5362 2.4 31.3 1.0 C15 A:GG5362 2.4 30.0 1.0 CG A:PRO242 3.2 34.2 1.0 CD1 A:ILE259 3.5 44.0 1.0 C18 A:GG5362 3.7 29.5 1.0 C14 A:GG5362 3.7 30.3 1.0 CG1 A:ILE259 3.9 41.8 1.0 CD1 A:LEU195 4.0 41.9 1.0 CG2 A:ILE259 4.0 40.7 1.0 CD A:PRO242 4.0 34.6 1.0 CD2 A:LEU236 4.1 29.5 1.0 C13 A:GG5362 4.2 30.6 1.0 CD1 A:LEU232 4.2 32.1 1.0 CD1 A:LEU236 4.3 30.6 1.0 CB A:PRO242 4.5 34.5 1.0 CD2 A:LEU291 4.6 35.3 1.0 CB A:ILE259 4.6 41.8 1.0 CD2 A:LEU232 4.7 32.6 1.0 CG A:LEU236 4.8 30.8 1.0 CD1 A:LEU291 4.9 34.7 1.0 CG A:LEU232 4.9 32.8 1.0 CG A:LEU195 4.9 41.4 1.0 CG A:LEU291 5.0 33.5 1.0

J.J.Perry, R.M.Harris, D.Moiani, A.J.Olson, J.A.Tainer. P38ALPHA Map Kinase C-Terminal Domain Binding Pocket Characterized By Crystallographic and Computational Analyses. J.Mol.Biol. V. 391 1 2009.
ISSN: ISSN 0022-2836
PubMed: 19501598
DOI: 10.1016/J.JMB.2009.06.005