Fluorine in PDB 8aau: Lim Domain Kinase 1 (LIMK1) Bound to LIMKI3

All present enzymatic activity of Lim Domain Kinase 1 (LIMK1) Bound to LIMKI3:
2.7.11.1;

The structure of Lim Domain Kinase 1 (LIMK1) Bound to LIMKI3, PDB code: 8aau was solved by S.Mathea, E.Salah, T.Hanke, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	68.71 / 1.74
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	85.668, 85.668, 182.108, 90, 90, 120
R / Rfree (%)	21.1 / 24

The structure of Lim Domain Kinase 1 (LIMK1) Bound to LIMKI3 also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Magnesium	(Mg)	1 atom

The binding sites of Fluorine atom in the Lim Domain Kinase 1 (LIMK1) Bound to LIMKI3 (pdb code 8aau). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Lim Domain Kinase 1 (LIMK1) Bound to LIMKI3, PDB code: 8aau:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Lim Domain Kinase 1 (LIMK1) Bound to LIMKI3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Lim Domain Kinase 1 (LIMK1) Bound to LIMKI3 within 5.0Å range: probe atom residue distance (Å) B Occ L:F702 b:42.4 occ:1.00 F1 L:LH0702 0.0 42.4 1.0 C7 L:LH0702 1.3 39.2 1.0 F L:LH0702 2.1 43.1 1.0 C6 L:LH0702 2.4 35.0 1.0 O L:HOH865 2.9 41.4 1.0 C8 L:LH0702 3.2 36.0 1.0 O L:HOH801 3.3 38.2 1.0 N1 L:LH0702 3.4 37.5 1.0 CG2 L:THR413 3.4 31.3 1.0 CE1 L:PHE411 3.7 36.0 1.0 CZ L:PHE411 4.1 35.0 1.0 OG1 L:THR413 4.1 29.8 1.0 OE2 L:GLU384 4.3 36.5 1.0 SD L:MET388 4.3 38.4 1.0 C9 L:LH0702 4.4 33.3 1.0 CB L:THR413 4.4 30.7 1.0 CD2 L:LEU397 4.4 33.6 1.0 N L:LH0702 4.4 34.0 1.0 O L:HOH855 4.5 41.6 1.0 CE L:MET388 4.9 37.2 1.0 CD L:LYS368 4.9 43.4 1.0 CD1 L:PHE411 4.9 34.0 1.0

Fluorine binding site 2 out of 2 in the Lim Domain Kinase 1 (LIMK1) Bound to LIMKI3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Lim Domain Kinase 1 (LIMK1) Bound to LIMKI3 within 5.0Å range: probe atom residue distance (Å) B Occ L:F702 b:43.1 occ:1.00 F L:LH0702 0.0 43.1 1.0 C7 L:LH0702 1.3 39.2 1.0 F1 L:LH0702 2.1 42.4 1.0 C6 L:LH0702 2.4 35.0 1.0 C8 L:LH0702 3.1 36.0 1.0 N1 L:LH0702 3.4 37.5 1.0 CG1 L:VAL366 3.6 37.1 1.0 CB L:LYS368 3.6 39.3 1.0 CG2 L:THR413 4.1 31.3 1.0 CE1 L:PHE411 4.2 36.0 1.0 CB L:ALA353 4.2 42.7 1.0 OG1 L:THR413 4.2 29.8 1.0 CD L:LYS368 4.2 43.4 1.0 C9 L:LH0702 4.3 33.3 1.0 N L:LH0702 4.4 34.0 1.0 N L:LYS368 4.4 39.5 1.0 CG L:LYS368 4.4 42.7 1.0 CZ L:PHE411 4.5 35.0 1.0 CA L:LYS368 4.5 40.8 1.0 CB L:VAL366 4.5 34.6 1.0 O L:HOH865 4.8 41.4 1.0 CB L:THR413 4.8 30.7 1.0 C L:MET367 4.9 39.3 1.0 O L:VAL366 5.0 31.8 1.0

S.Mathea, E.Salah, T.Hanke, S.Knapp. Lim Domain Kinase 1 (LIMK1) Bound to LIMKI3 To Be Published.