Chlorine in PDB 6y81: Fragment KCL_1088 in Complex with Map Kinase P38-Alpha

All present enzymatic activity of Fragment KCL_1088 in Complex with Map Kinase P38-Alpha:
2.7.11.24;

The structure of Fragment KCL_1088 in Complex with Map Kinase P38-Alpha, PDB code: 6y81 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)	63.87 / 1.54
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	80.818, 102.350, 104.261, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 21.6

The structure of Fragment KCL_1088 in Complex with Map Kinase P38-Alpha also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Calcium	(Ca)	6 atoms

The binding sites of Chlorine atom in the Fragment KCL_1088 in Complex with Map Kinase P38-Alpha (pdb code 6y81). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Fragment KCL_1088 in Complex with Map Kinase P38-Alpha, PDB code: 6y81:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Fragment KCL_1088 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_1088 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl408 b:51.4 occ:1.00 O A:HOH533 2.7 38.7 1.0 O A:HOH512 2.7 35.1 1.0 N A:SER252 3.1 29.6 1.0 CB A:SER252 3.3 36.9 1.0 N A:SER251 3.6 24.7 1.0 CA A:SER252 3.8 33.0 1.0 CG2 A:ILE250 3.8 25.1 1.0 C A:SER251 4.0 32.3 1.0 CA A:SER251 4.1 24.4 1.0 O A:ASN196 4.1 35.0 1.0 CB A:SER251 4.1 30.4 1.0 O A:LEU195 4.2 29.7 1.0 C A:ILE250 4.4 30.3 1.0 OG A:SER252 4.5 36.7 1.0 CA A:ILE250 4.6 24.3 1.0 OG A:SER251 4.8 39.2 1.0 CD1 A:TRP197 4.8 32.3 1.0 CB A:ALA255 4.8 28.1 1.0 CB A:ILE250 4.9 24.8 1.0 C A:SER252 4.9 26.1 1.0 C A:ASN196 4.9 37.0 1.0 O A:SER252 4.9 26.0 1.0

Chlorine binding site 2 out of 2 in the Fragment KCL_1088 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 2 of Fragment KCL_1088 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl409 b:30.6 occ:1.00 OG A:SER154 3.0 20.0 1.0 N A:SER154 3.0 17.4 1.0 CB A:SER154 3.4 20.2 1.0 CD A:PRO153 3.4 18.4 1.0 CD A:LYS152 3.6 26.8 1.0 N A:PRO153 3.6 18.1 1.0 CG A:LYS152 3.6 18.8 1.0 CB A:LYS152 3.6 18.1 1.0 CA A:SER154 3.8 20.1 1.0 CG2 A:THR185 3.9 23.9 0.7 C A:PRO153 4.0 19.3 1.0 ND2 A:ASN114 4.0 23.4 1.0 CB A:PRO153 4.0 19.5 1.0 CA A:PRO153 4.1 17.2 1.0 C A:LYS152 4.1 16.3 1.0 CG A:PRO153 4.2 18.1 1.0 CE1 A:TYR188 4.3 24.6 1.0 CA A:LYS152 4.5 15.7 1.0 CD1 A:TYR188 4.7 19.5 1.0 O A:LYS152 4.8 16.8 1.0 CG A:ASN114 4.9 26.4 1.0 CB A:THR185 4.9 25.5 0.3 C A:SER154 4.9 17.1 1.0 CZ A:TYR188 5.0 23.1 1.0

G.F.De Nicola, C.E.Nichols. Fragment KCL_1088 in Complex with Map Kinase P38-Alpha To Be Published.