Chlorine in PDB 6y80: Fragment KCL_916 in Complex with Map Kinase P38-Alpha

All present enzymatic activity of Fragment KCL_916 in Complex with Map Kinase P38-Alpha:
2.7.11.24;

The structure of Fragment KCL_916 in Complex with Map Kinase P38-Alpha, PDB code: 6y80 was solved by G.F.De Nicola, C.E.Nichols, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.72 / 1.24
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	80.940, 102.344, 103.348, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 22.5

The structure of Fragment KCL_916 in Complex with Map Kinase P38-Alpha also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Calcium	(Ca)	4 atoms

The binding sites of Chlorine atom in the Fragment KCL_916 in Complex with Map Kinase P38-Alpha (pdb code 6y80). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Fragment KCL_916 in Complex with Map Kinase P38-Alpha, PDB code: 6y80:

Chlorine binding site 1 out of 1 in the Fragment KCL_916 in Complex with Map Kinase P38-Alpha


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Fragment KCL_916 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:35.6 occ:1.00 ND1 A:HIS77 3.6 18.4 1.0 CE1 A:HIS77 3.7 19.3 1.0 O A:PRO322 3.8 17.6 1.0 CD1 A:TYR323 3.9 20.3 1.0 N A:ASP324 4.0 18.8 1.0 NH2 A:ARG73 4.1 27.5 1.0 CA A:TYR323 4.2 16.1 1.0 O A:HOH597 4.3 27.2 1.0 O A:HOH617 4.4 26.2 1.0 CE1 A:TYR323 4.4 24.0 1.0 CB A:ASP324 4.6 21.3 1.0 C A:TYR323 4.6 19.6 1.0 CG A:HIS77 4.7 15.9 1.0 C A:PRO322 4.8 18.1 1.0 NE2 A:HIS77 4.8 19.0 1.0 CA A:ASP324 4.9 20.0 1.0 CG A:TYR323 5.0 18.8 1.0 N A:TYR323 5.0 19.4 1.0

G.F.De Nicola, C.E.Nichols. Fragment KCL_916 in Complex with Map Kinase P38-Alpha To Be Published.