Bromine in PDB 1dm2: Human Cyclin-Dependent Kinase 2 Complexed with the Inhibitor Hymenialdisine

The structure of Human Cyclin-Dependent Kinase 2 Complexed with the Inhibitor Hymenialdisine, PDB code: 1dm2 was solved by A.M.Thunnissen, S.-H.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.390, 70.670, 72.260, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 26.7

The binding sites of Bromine atom in the Human Cyclin-Dependent Kinase 2 Complexed with the Inhibitor Hymenialdisine (pdb code 1dm2). 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 Human Cyclin-Dependent Kinase 2 Complexed with the Inhibitor Hymenialdisine, PDB code: 1dm2:

Bromine binding site 1 out of 1 in the Human Cyclin-Dependent Kinase 2 Complexed with the Inhibitor Hymenialdisine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Human Cyclin-Dependent Kinase 2 Complexed with the Inhibitor Hymenialdisine within 5.0Å range: probe atom residue distance (Å) B Occ A:Br400 b:63.1 occ:1.00 BR1 A:HMD400 0.0 63.1 1.0 C1 A:HMD400 1.9 51.5 1.0 N1 A:HMD400 2.8 48.4 1.0 C2 A:HMD400 2.9 49.2 1.0 O A:HOH582 3.7 42.3 1.0 O A:HIS84 3.8 42.4 1.0 O A:ILE10 3.9 47.1 1.0 C4 A:HMD400 3.9 46.0 1.0 C3 A:HMD400 4.1 46.0 1.0 OD2 A:ASP86 4.2 34.5 1.0 CD2 A:LEU134 4.2 18.8 1.0 O A:HOH580 4.2 34.6 1.0 O A:LEU83 4.3 29.0 1.0 CB A:ASP86 4.4 28.5 1.0 N A:ASP86 4.5 29.1 1.0 C A:HIS84 4.6 38.5 1.0 C A:GLN85 4.7 30.9 1.0 CG A:ASP86 4.7 32.0 1.0 CB A:ILE10 4.8 37.0 1.0 CA A:GLN85 4.9 35.6 1.0 CD1 A:ILE10 4.9 21.6 1.0 C A:ILE10 5.0 45.7 1.0

L.Meijer, A.M.Thunnissen, A.W.White, M.Garnier, M.Nikolic, L.H.Tsai, J.Walter, K.E.Cleverley, P.C.Salinas, Y.Z.Wu, J.Biernat, E.M.Mandelkow, S.H.Kim, G.R.Pettit. Inhibition of Cyclin-Dependent Kinases, Gsk-3BETA and CK1 By Hymenialdisine, A Marine Sponge Constituent. Chem.Biol. V. 7 51 2000.
ISSN: ISSN 1074-5521
PubMed: 10662688
DOI: 10.1016/S1074-5521(00)00063-6