Chlorine in PDB 6y8h: Novel P38-Alpha Crystal Lattice with Highly Exposed P38/TAB1 Non- Canonical Ppi Surface.

All present enzymatic activity of Novel P38-Alpha Crystal Lattice with Highly Exposed P38/TAB1 Non- Canonical Ppi Surface.:
2.7.11.24;

The structure of Novel P38-Alpha Crystal Lattice with Highly Exposed P38/TAB1 Non- Canonical Ppi Surface., PDB code: 6y8h 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)	51.16 / 1.37
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	80.864, 102.325, 103.821, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 24

The structure of Novel P38-Alpha Crystal Lattice with Highly Exposed P38/TAB1 Non- Canonical Ppi Surface. also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Calcium	(Ca)	5 atoms

The binding sites of Chlorine atom in the Novel P38-Alpha Crystal Lattice with Highly Exposed P38/TAB1 Non- Canonical Ppi Surface. (pdb code 6y8h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Novel P38-Alpha Crystal Lattice with Highly Exposed P38/TAB1 Non- Canonical Ppi Surface., PDB code: 6y8h:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Novel P38-Alpha Crystal Lattice with Highly Exposed P38/TAB1 Non- Canonical Ppi Surface.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Novel P38-Alpha Crystal Lattice with Highly Exposed P38/TAB1 Non- Canonical Ppi Surface. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:52.5 occ:1.00 O A:HOH507 2.8 35.9 1.0 N A:SER252 3.0 28.3 1.0 O A:HOH509 3.1 36.6 1.0 CB A:SER252 3.3 36.9 1.0 N A:SER251 3.5 28.3 1.0 CA A:SER252 3.7 28.5 1.0 CG2 A:ILE250 3.8 25.1 1.0 C A:SER251 3.9 29.6 1.0 CB A:SER251 4.0 33.7 1.0 CA A:SER251 4.0 26.5 1.0 O A:ASN196 4.0 37.7 1.0 O A:LEU195 4.3 36.9 1.0 C A:ILE250 4.3 30.9 1.0 OG A:SER252 4.5 34.3 1.0 CA A:ILE250 4.6 24.9 1.0 OG A:SER251 4.7 33.4 1.0 C A:SER252 4.8 25.7 1.0 CB A:ALA255 4.8 28.5 1.0 CB A:ILE250 4.9 25.1 1.0 O A:SER252 4.9 24.7 1.0 C A:ASN196 4.9 42.3 1.0

Chlorine binding site 2 out of 2 in the Novel P38-Alpha Crystal Lattice with Highly Exposed P38/TAB1 Non- Canonical Ppi Surface.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Novel P38-Alpha Crystal Lattice with Highly Exposed P38/TAB1 Non- Canonical Ppi Surface. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl408 b:25.9 occ:1.00 OG A:SER154 2.9 20.0 1.0 N A:SER154 3.0 15.2 1.0 CB A:SER154 3.3 18.8 1.0 CD A:PRO153 3.5 16.6 1.0 CD A:LYS152 3.5 25.7 1.0 CG A:LYS152 3.6 17.2 1.0 CB A:LYS152 3.6 17.0 1.0 N A:PRO153 3.6 14.8 1.0 CA A:SER154 3.8 17.3 1.0 ND2 A:ASN114 3.8 24.0 1.0 C A:PRO153 4.0 18.1 1.0 CG2 A:THR185 4.0 23.2 1.0 CB A:PRO153 4.1 17.3 1.0 O A:HOH678 4.1 35.0 1.0 CA A:PRO153 4.1 15.2 1.0 C A:LYS152 4.1 13.6 1.0 CE1 A:TYR188 4.2 19.4 1.0 CG A:PRO153 4.2 17.5 1.0 CA A:LYS152 4.5 14.8 1.0 CD1 A:TYR188 4.6 19.0 1.0 CG A:ASN114 4.8 26.0 1.0 O A:LYS152 4.8 15.3 1.0 OD1 A:ASN114 4.9 27.8 1.0 CZ A:TYR188 4.9 19.2 1.0 C A:SER154 4.9 16.8 1.0 CE A:LYS152 5.0 27.4 1.0

G.F.De Nicola, C.E.Nichols. Novel P38-Alpha Crystal Lattice with Highly Exposed P38/TAB1 Non-Canonical Ppi Surface. To Be Published.