Bromine in PDB 2r3k: Crystal Structure of Cyclin-Dependent Kinase 2 with Inhibitor

All present enzymatic activity of Crystal Structure of Cyclin-Dependent Kinase 2 with Inhibitor:
2.7.11.22;

The structure of Crystal Structure of Cyclin-Dependent Kinase 2 with Inhibitor, PDB code: 2r3k was solved by T.O.Fischmann, A.W.Hruza, V.M.Madison, J.S.Duca, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.90 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.450, 71.700, 72.200, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 23.2

The binding sites of Bromine atom in the Crystal Structure of Cyclin-Dependent Kinase 2 with Inhibitor (pdb code 2r3k). 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 Cyclin-Dependent Kinase 2 with Inhibitor, PDB code: 2r3k:

Bromine binding site 1 out of 1 in the Crystal Structure of Cyclin-Dependent Kinase 2 with Inhibitor


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 Cyclin-Dependent Kinase 2 with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Br501 b:43.6 occ:0.70 BR24 A:SCQ501 0.0 43.6 0.7 C01 A:SCQ501 1.8 44.8 0.7 C02 A:SCQ501 2.9 45.9 0.7 C05 A:SCQ501 2.9 44.6 0.7 CB A:PHE80 3.3 28.2 1.0 CG A:PHE80 3.4 28.7 1.0 CD2 A:PHE80 3.4 30.7 1.0 C06 A:SCQ501 3.4 46.5 0.7 CB A:ALA31 3.9 29.1 1.0 N03 A:SCQ501 4.0 45.8 0.7 N04 A:SCQ501 4.0 45.1 0.7 CG1 A:VAL64 4.1 28.6 1.0 CD1 A:PHE80 4.1 31.2 1.0 CE2 A:PHE80 4.2 32.8 1.0 O A:GLU81 4.4 29.8 1.0 CD1 A:LEU134 4.7 30.4 1.0 CB A:ALA144 4.7 27.2 1.0 C07 A:SCQ501 4.8 47.6 0.7 CE1 A:PHE80 4.8 32.2 1.0 OD1 A:ASP145 4.8 55.6 1.0 CZ A:PHE80 4.8 31.0 1.0 CA A:PHE80 4.8 26.6 1.0 CB A:VAL64 4.9 28.8 1.0

T.O.Fischmann, A.Hruza, J.S.Duca, L.Ramanathan, T.Mayhood, W.T.Windsor, H.V.Le, T.J.Guzi, M.P.Dwyer, K.Paruch, R.J.Doll, E.Lees, D.Parry, W.Seghezzi, V.Madison. Structure-Guided Discovery of Cyclin-Dependent Kinase Inhibitors. Biopolymers V. 89 372 2008.
ISSN: ISSN 0006-3525
PubMed: 17937404
DOI: 10.1002/BIP.20868