Bromine in PDB 2vgp: Crystal Structure of Aurora B Kinase in Complex with A Aminothiazole Inhibitor

All present enzymatic activity of Crystal Structure of Aurora B Kinase in Complex with A Aminothiazole Inhibitor:
2.7.11.1;

The structure of Crystal Structure of Aurora B Kinase in Complex with A Aminothiazole Inhibitor, PDB code: 2vgp was solved by C.B.Andersen, Y.Wan, J.W.Chang, C.Lee, Y.Liu, F.Sessa, F.Villa, L.Nallan, A.Musacchio, N.S.Gray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.7
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.958, 67.196, 117.263, 90.00, 96.67, 90.00
R / Rfree (%)	20.6 / 24.3

The binding sites of Bromine atom in the Crystal Structure of Aurora B Kinase in Complex with A Aminothiazole Inhibitor (pdb code 2vgp). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of Aurora B Kinase in Complex with A Aminothiazole Inhibitor, PDB code: 2vgp:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Aurora B Kinase in Complex with A Aminothiazole 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 Aurora B Kinase in Complex with A Aminothiazole Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1357 b:15.2 occ:0.50 BR A:AD61357 0.0 15.2 0.5 CAN A:AD61357 1.9 14.4 1.0 CAH A:AD61357 2.9 15.3 1.0 SAL A:AD61357 3.1 15.1 1.0 CD1 A:LEU170 3.7 14.2 1.0 CG1 A:VAL107 3.8 18.2 1.0 NAI A:AD61357 4.1 14.2 1.0 CD2 A:LEU154 4.1 10.2 1.0 CAQ A:AD61357 4.3 14.8 1.0 CB A:ALA120 4.3 13.6 1.0 CD1 A:LEU223 4.4 10.3 1.0 CG2 A:VAL107 4.4 18.7 1.0 CB A:LEU170 4.7 10.4 1.0 CB A:VAL107 4.7 18.9 1.0 O A:HOH2110 4.7 37.7 1.0 CG A:LEU170 4.8 11.3 1.0 O A:HOH2063 4.8 28.2 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Aurora B Kinase in Complex with A Aminothiazole Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Aurora B Kinase in Complex with A Aminothiazole Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1356 b:14.2 occ:0.50 BR B:AD61356 0.0 14.2 0.5 CAN B:AD61356 1.9 14.1 1.0 CAH B:AD61356 2.8 14.4 1.0 SAL B:AD61356 3.1 15.2 1.0 CD1 B:LEU170 3.8 12.5 1.0 CG1 B:VAL107 3.9 17.5 1.0 CE2 B:PHE104 3.9 25.2 1.0 NAI B:AD61356 4.0 14.2 1.0 CD2 B:LEU154 4.2 8.9 1.0 CAQ B:AD61356 4.3 15.4 1.0 CD2 B:PHE104 4.3 25.1 1.0 CG2 B:VAL107 4.3 17.5 1.0 CD1 B:LEU223 4.4 11.9 1.0 CB B:VAL107 4.6 17.9 1.0 CB B:ALA120 4.7 12.9 1.0 CZ B:PHE104 4.8 25.6 1.0 CB B:LEU170 4.8 10.0 1.0 CG B:LEU170 5.0 11.9 1.0

C.B.Andersen, Y.Wan, J.W.Chang, B.Riggs, C.Lee, Y.Liu, F.Sessa, F.Villa, N.Kwiatkowski, M.Suzuki, L.Nallan, R.Heald, A.Musacchio, N.S.Gray. Discovery of Selective Aminothiazole Aurora Kinase Inhibitors Acs Chem.Biol. V. 3 180 2008.
ISSN: ISSN 1554-8929
PubMed: 18307303
DOI: 10.1021/CB700200W