Chlorine in PDB 2ym8: Crystal Structure of Checkpoint Kinase 1 (CHK1) in Complex with Inhibitors

All present enzymatic activity of Crystal Structure of Checkpoint Kinase 1 (CHK1) in Complex with Inhibitors:
2.7.11.1;

The structure of Crystal Structure of Checkpoint Kinase 1 (CHK1) in Complex with Inhibitors, PDB code: 2ym8 was solved by J.C.Reader, T.P.Matthews, S.Klair, K.M.J.Cheung, J.Scanlon, N.Proisy, G.Addison, J.Ellard, N.Piton, S.Taylor, M.Cherry, M.Fisher, K.Boxall, S.Burns, M.I.Walton, I.M.Westwood, A.Hayes, P.Eve, M.Valenti, A.H.Brandon, G.Box, R.L.M.Vanmontfort, D.H.Williams, G.W.Aherne, F.I.Raynaud, S.A.Eccles, M.D.Garrett, I.Collins, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.31 / 2.07
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.770, 65.470, 57.930, 90.00, 95.38, 90.00
R / Rfree (%)	18.9 / 23.1

The binding sites of Chlorine atom in the Crystal Structure of Checkpoint Kinase 1 (CHK1) in Complex with Inhibitors (pdb code 2ym8). 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 Checkpoint Kinase 1 (CHK1) in Complex with Inhibitors, PDB code: 2ym8:

Chlorine binding site 1 out of 1 in the Crystal Structure of Checkpoint Kinase 1 (CHK1) in Complex with Inhibitors


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 Checkpoint Kinase 1 (CHK1) in Complex with Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1271 b:45.8 occ:1.00 CL A:YM81271 0.0 45.8 1.0 CAS A:YM81271 1.7 41.6 1.0 CAH A:YM81271 2.7 42.2 1.0 CAY A:YM81271 2.7 39.7 1.0 CAK A:YM81271 3.0 40.9 1.0 O A:CYS87 3.4 35.0 1.0 OH A:TYR86 3.5 46.1 1.0 CE1 A:TYR86 3.7 39.6 1.0 CZ A:TYR86 3.8 42.5 1.0 CA A:SER88 3.9 37.1 1.0 CAG A:YM81271 4.0 43.4 1.0 CAX A:YM81271 4.0 37.2 1.0 O A:SER88 4.1 39.4 1.0 N A:GLY90 4.1 24.8 1.0 C A:SER88 4.1 38.1 1.0 CA A:GLY90 4.1 26.3 1.0 C A:CYS87 4.2 31.7 1.0 NAO A:YM81271 4.3 39.7 1.0 N A:SER88 4.5 35.1 1.0 CAI A:YM81271 4.5 38.7 1.0 CD1 A:TYR86 4.6 36.5 1.0 N A:GLY89 4.8 34.3 1.0 CE2 A:TYR86 4.8 37.8 1.0 CD2 A:LEU15 4.8 57.6 1.0

J.C.Reader, T.P.Matthews, S.Klair, K.M.J.Cheung, J.Scanlon, N.Proisy, G.Addison, J.Ellard, N.Piton, S.Taylor, M.Cherry, M.Fisher, K.Boxall, S.Burns, M.I.Walton, I.M.Westwood, A.Hayes, P.Eve, M.Valenti, A.De Haven Brandon, G.Box, R.L.M.Van Montfort, D.H.Williams, G.W.Aherne, F.I.Raynaud, S.A.Eccles, M.D.Garrett, I.Collins. Structure-Guided Evolution of Potent and Selective CHK1 Inhibitors Through Scaffold Morphing. J.Med.Chem. V. 54 8328 2011.
ISSN: ISSN 0022-2623
PubMed: 22111927
DOI: 10.1021/JM2007326