Chlorine in PDB 2ywp: Crystal Structure of CHK1 with A Urea Inhibitor

All present enzymatic activity of Crystal Structure of CHK1 with A Urea Inhibitor:
2.7.11.1;

The structure of Crystal Structure of CHK1 with A Urea Inhibitor, PDB code: 2ywp was solved by C.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.90 / 2.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.863, 65.513, 57.840, 90.00, 94.07, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Chlorine atom in the Crystal Structure of CHK1 with A Urea Inhibitor (pdb code 2ywp). 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 Crystal Structure of CHK1 with A Urea Inhibitor, PDB code: 2ywp:

Chlorine binding site 1 out of 1 in the Crystal Structure of CHK1 with A Urea Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of CHK1 with A Urea Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:49.6 occ:1.00 CL1 A:A421 0.0 49.6 1.0 C15 A:A421 1.7 50.0 1.0 C14 A:A421 2.7 50.0 1.0 C16 A:A421 2.8 50.5 1.0 O21 A:A421 3.1 50.9 1.0 O A:CYS87 3.1 41.5 1.0 CA A:GLY90 3.8 33.2 1.0 OH A:TYR86 3.9 44.8 1.0 CA A:SER88 3.9 40.2 1.0 C22 A:A421 3.9 51.0 1.0 N A:GLY90 3.9 34.4 1.0 C A:SER88 4.0 39.2 1.0 C A:CYS87 4.1 41.9 1.0 O A:SER88 4.1 39.1 1.0 C17 A:A421 4.1 50.6 1.0 C13 A:A421 4.1 50.0 1.0 CZ A:TYR86 4.3 44.7 1.0 N A:SER88 4.4 41.1 1.0 CE1 A:TYR86 4.5 44.5 1.0 C18 A:A421 4.6 50.4 1.0 CD2 A:LEU15 4.7 63.8 1.0 N A:GLY89 4.8 38.2 1.0 C A:GLY89 4.9 35.5 1.0

G.Li, L.A.Hasvold, Z.-F.Tao, G.T.Wang, S.L.Gwaltney Ii, J.Patel, P.Kovar, R.B.Credo, Z.Chen, H.Zhang, C.Park, H.L.Sham, T.Sowin, S.H.Rosenberg, N.-H.Lin. Synthesis and Biological Evaluation of 1-(2,4,5-Trisubstituted Phenyl)-3-(5-Cyanopyrazin-2-Yl)Ureas As Potent CHK1 Kinase Inhibitors Bioorg.Med.Chem.Lett. V. 16 2293 2006.
ISSN: ISSN 0960-894X
PubMed: 16446090
DOI: 10.1016/J.BMCL.2006.01.028