Bromine in PDB 2wmw: 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: 2wmw was solved by T.P.Matthews, S.Klair, S.Burns, K.Boxall, M.Cherry, M.Fisher, I.M.Westwood, M.I.Walton, T.Mchardy, K.-M.J.Cheung, R.Van Montfort, D.Williams, G.W.Aherne, M.D.Garrett, J.Reader, I.Collins, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.58 / 2.43
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.090, 65.890, 57.980, 90.00, 94.31, 90.00
R / Rfree (%)	22.9 / 25

The binding sites of Bromine atom in the Crystal Structure of Checkpoint Kinase 1 (CHK1) in Complex with Inhibitors (pdb code 2wmw). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of Checkpoint Kinase 1 (CHK1) in Complex with Inhibitors, PDB code: 2wmw:

Bromine 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 Bromine with other atoms in the Br 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:Br1270 b:0.9 occ:1.00 BR A:ZYW1270 0.0 0.9 1.0 CAM A:ZYW1270 1.9 0.9 1.0 CAC A:ZYW1270 2.8 0.9 1.0 CAN A:ZYW1270 2.9 0.9 1.0 CAH A:ZYW1270 3.1 0.9 1.0 NAQ A:ZYW1270 3.1 0.9 1.0 NAJ A:ZYW1270 4.1 0.9 1.0 CAO A:ZYW1270 4.1 0.9 1.0 CB A:LEU15 4.3 70.2 1.0 CAG A:ZYW1270 4.3 0.9 1.0 O A:CYS87 4.4 50.5 1.0 CA A:GLY90 4.5 39.4 1.0 CAP A:ZYW1270 4.6 0.9 1.0 CD2 A:LEU15 4.6 65.3 1.0 CAR A:ZYW1270 4.6 0.9 1.0 O A:LEU15 4.8 57.2 1.0 CG A:LEU15 4.8 73.5 1.0 CD1 A:LEU15 4.9 66.1 1.0 CD2 A:LEU137 4.9 38.9 1.0 C A:GLY90 5.0 35.3 1.0

T.P.Matthews, S.Klair, S.Burns, K.Boxall, M.Cherry, M.Fisher, I.M.Westwood, M.I.Walton, T.Mchardy, K.-M.J.Cheung, R.Van Montfort, D.Williams, G.W.Aherne, M.D.Garrett, J.Reader, I.Collins. Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening. J.Med.Chem. V. 52 4810 2009.
ISSN: ISSN 0022-2623
PubMed: 19572549
DOI: 10.1021/JM900314J