Bromine in PDB 2uzw: Pka Structures of Indazole-Pyridine Series of Akt Inhibitors

All present enzymatic activity of Pka Structures of Indazole-Pyridine Series of Akt Inhibitors:
2.7.11.11;

The structure of Pka Structures of Indazole-Pyridine Series of Akt Inhibitors, PDB code: 2uzw was solved by G.D.Zhu, V.B.Gandhi, J.Gong, S.Thomas, K.W.Woods, X.Song, T.Li, R.B.Diebold, Y.Luo, X.Liu, R.Guan, V.Klinghofer, E.F.Johnson, J.Bouska, A.Olson, K.C.Marsh, V.S.Stoll, M.Mamo, J.Polakowski, T.J.Campbell, T.D.Penning, Q.Li, S.H.Rosenberg, V.L.Giranda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.0 / 2.2
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.904, 74.932, 80.243, 90.00, 90.00, 90.00
R / Rfree (%)	31.34 / 32.77

The binding sites of Bromine atom in the Pka Structures of Indazole-Pyridine Series of Akt Inhibitors (pdb code 2uzw). 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 Pka Structures of Indazole-Pyridine Series of Akt Inhibitors, PDB code: 2uzw:

Bromine binding site 1 out of 1 in the Pka Structures of Indazole-Pyridine Series of Akt Inhibitors


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Pka Structures of Indazole-Pyridine Series of Akt Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ E:Br1351 b:45.0 occ:1.00 BR1 E:SS41351 0.0 45.0 1.0 C15 E:SS41351 1.9 39.0 1.0 C26 E:SS41351 2.8 38.3 1.0 C14 E:SS41351 2.8 37.3 1.0 CE E:LYS72 3.6 30.3 1.0 O E:GLY55 3.8 34.5 1.0 C E:GLY55 3.8 33.8 1.0 C16 E:SS41351 4.1 36.6 1.0 C13 E:SS41351 4.1 36.1 1.0 N E:ARG56 4.2 35.8 1.0 CA E:GLY55 4.2 33.2 1.0 CG E:LYS72 4.4 28.4 1.0 NZ E:LYS72 4.4 33.2 1.0 CA E:GLY52 4.5 36.0 1.0 N E:GLY55 4.5 33.7 1.0 CD E:LYS72 4.5 31.1 1.0 N E:GLY52 4.5 36.2 1.0 CA E:ARG56 4.5 37.5 1.0 CG2 E:VAL57 4.6 37.5 1.0 C17 E:SS41351 4.7 37.5 1.0 C E:ARG56 4.8 38.2 1.0 C E:THR51 4.8 36.2 1.0 CD1 E:LEU74 4.8 38.0 1.0 O E:THR51 4.9 33.7 1.0

G.D.Zhu, V.B.Gandhi, J.Gong, S.Thomas, K.W.Woods, X.Song, T.Li, R.B.Diebold, Y.Luo, X.Liu, R.Guan, V.Klinghofer, E.F.Johnson, J.Bouska, A.Olson, K.C.Marsh, V.S.Stoll, M.Mamo, J.Polakowski, T.J.Campbell, R.L.Martin, G.A.Gintant, T.D.Penning, Q.Li, S.H.Rosenberg, V.L.Giranda. Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension. J.Med.Chem. V. 50 2990 2007.
ISSN: ISSN 0022-2623
PubMed: 17523610
DOI: 10.1021/JM0701019