Chlorine 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:

Magnesium	(Mg)	1 atom
Fluorine	(F)	2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Lim Domain Kinase 1 (LIMK1) Bound to LIMKI3, PDB code: 8aau:
Jump to Chlorine binding site number: 1; 2;

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl702 b:39.4 occ:1.00 CL L:LH0702 0.0 39.4 1.0 C L:LH0702 1.7 39.1 1.0 C5 L:LH0702 2.7 39.2 1.0 C1 L:LH0702 2.7 36.8 1.0 N L:LH0702 3.0 34.0 1.0 CB L:ALA477 3.3 29.3 1.0 C9 L:LH0702 3.7 33.3 1.0 N1 L:LH0702 3.7 37.5 1.0 N L:ASP478 3.8 32.9 1.0 C4 L:LH0702 4.0 42.9 1.0 C2 L:LH0702 4.0 40.8 1.0 C10 L:LH0702 4.0 33.2 1.0 CB L:ASP478 4.0 35.2 1.0 CD1 L:LEU467 4.1 31.9 1.0 C L:ALA477 4.1 32.3 1.0 OD1 L:ASN465 4.2 34.7 1.0 O L:HOH865 4.2 41.4 1.0 S L:LH0702 4.3 34.5 1.0 CA L:ASP478 4.3 34.1 1.0 CD2 L:LEU467 4.3 35.3 1.0 CA L:ALA477 4.3 30.4 1.0 CG L:LEU467 4.4 35.0 1.0 C6 L:LH0702 4.5 35.0 1.0 C3 L:LH0702 4.5 42.9 1.0 C8 L:LH0702 4.5 36.0 1.0 CA L:ASN465 4.7 30.2 1.0 O L:ASN465 4.8 32.4 1.0 O L:ALA477 4.8 31.6 1.0 CG L:ASN465 4.9 34.6 1.0 C11 L:LH0702 5.0 32.3 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl702 b:48.5 occ:1.00 CL1 L:LH0702 0.0 48.5 1.0 C2 L:LH0702 1.7 40.8 1.0 C1 L:LH0702 2.7 36.8 1.0 C3 L:LH0702 2.7 42.9 1.0 N L:LH0702 3.0 34.0 1.0 N1 L:LH0702 3.4 37.5 1.0 CB L:ALA353 3.4 42.7 1.0 CB L:LEU345 3.6 45.3 1.0 C L:LEU345 3.6 45.4 1.0 O L:LEU345 3.6 48.0 1.0 C9 L:LH0702 3.7 33.3 1.0 N L:GLY346 3.7 48.0 1.0 CA L:GLY346 3.9 50.5 1.0 C L:LH0702 4.0 39.1 1.0 C4 L:LH0702 4.0 42.9 1.0 S L:LH0702 4.1 34.5 1.0 C6 L:LH0702 4.1 35.0 1.0 C10 L:LH0702 4.2 33.2 1.0 CA L:LEU345 4.3 45.8 1.0 C8 L:LH0702 4.4 36.0 1.0 C5 L:LH0702 4.5 39.2 1.0 CA L:ALA353 4.8 43.3 1.0 CD1 L:LEU345 4.8 40.2 1.0 O L:ALA353 4.8 44.9 1.0 CG1 L:VAL366 4.8 37.1 1.0 CG L:LEU345 4.8 46.9 1.0 C L:GLY346 4.9 51.4 1.0 C L:ALA353 5.0 45.6 1.0

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