Chlorine in PDB 3zsh: X-Ray Structure of P38ALPHA Bound to Scio-469

All present enzymatic activity of X-Ray Structure of P38ALPHA Bound to Scio-469:
2.7.11.24;

The structure of X-Ray Structure of P38ALPHA Bound to Scio-469, PDB code: 3zsh was solved by R.Azevedo, M.Van Zeeland, H.Raaijmakers, B.Kazemier, A.Oubrie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.15 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.720, 70.080, 74.290, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 25.5

The structure of X-Ray Structure of P38ALPHA Bound to Scio-469 also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Chlorine atom in the X-Ray Structure of P38ALPHA Bound to Scio-469 (pdb code 3zsh). 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 X-Ray Structure of P38ALPHA Bound to Scio-469, PDB code: 3zsh:

Chlorine binding site 1 out of 1 in the X-Ray Structure of P38ALPHA Bound to Scio-469


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of P38ALPHA Bound to Scio-469 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl400 b:39.1 occ:1.00 CLA A:469400 0.0 39.1 1.0 CAY A:469400 1.7 41.3 1.0 CAO A:469400 2.7 41.9 1.0 CBA A:469400 2.8 40.8 1.0 CAW A:469400 3.1 38.9 1.0 CAT A:469400 3.1 41.9 1.0 NBI A:469400 3.3 39.3 1.0 CD2 A:LEU167 3.6 40.6 1.0 CB A:ALA157 3.6 36.1 1.0 O A:ALA111 3.6 40.0 1.0 O A:HOH2085 3.9 41.8 1.0 OAH A:469400 3.9 36.0 1.0 CBD A:469400 4.0 43.6 1.0 CAP A:469400 4.0 42.0 1.0 CA A:ALA157 4.1 37.0 1.0 CB A:ASP112 4.2 44.2 1.0 CBE A:469400 4.2 42.3 1.0 C A:ALA111 4.2 42.9 1.0 CAB A:469400 4.3 38.5 1.0 CBF A:469400 4.4 39.4 1.0 CG A:LEU167 4.5 40.6 1.0 CBC A:469400 4.5 44.3 1.0 CA A:ASP112 4.6 44.2 1.0 N A:ASP112 4.7 43.9 1.0 N A:ALA157 4.8 35.8 1.0 CD1 A:LEU167 4.8 43.4 1.0 O A:SER154 4.8 37.9 1.0 CE1 A:TYR35 4.8 59.0 1.0 OH A:TYR35 4.9 64.8 1.0 CAA A:469400 4.9 44.9 1.0 N A:ALA111 5.0 42.5 1.0 CZ A:TYR35 5.0 60.4 1.0

R.Azevedo, M.Van Zeeland, H.Raaijmakers, B.Kazemier, J.De Vlieg, A.Oubrie. X-Ray Structure of P38 Alpha Bound to Tak-715: Comparison with Three Classic Inhibitors. Acta Crystallogr. D Biol. V. 68 1041 2012CRYSTALLOGR..
ISSN: ESSN 1399-0047
PubMed: 22868770
DOI: 10.1107/S090744491201997X