Bromine in PDB 8r0w: PIM1 in Complex with 5-Bromobenzo[D]Oxazol-2-Amine and Pimtide

All present enzymatic activity of PIM1 in Complex with 5-Bromobenzo[D]Oxazol-2-Amine and Pimtide:
2.7.11.1;

The structure of PIM1 in Complex with 5-Bromobenzo[D]Oxazol-2-Amine and Pimtide, PDB code: 8r0w was solved by P.M.M.Hochban, A.Heine, W.E.Diederich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.67 / 1.95
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	96.241, 96.241, 79.837, 90, 90, 120
R / Rfree (%)	16.6 / 20.1

The binding sites of Bromine atom in the PIM1 in Complex with 5-Bromobenzo[D]Oxazol-2-Amine and Pimtide (pdb code 8r0w). 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 PIM1 in Complex with 5-Bromobenzo[D]Oxazol-2-Amine and Pimtide, PDB code: 8r0w:

Bromine binding site 1 out of 1 in the PIM1 in Complex with 5-Bromobenzo[D]Oxazol-2-Amine and Pimtide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of PIM1 in Complex with 5-Bromobenzo[D]Oxazol-2-Amine and Pimtide within 5.0Å range: probe atom residue distance (Å) B Occ A:Br405 b:43.4 occ:0.75 BR7 A:XGF405 0.0 43.4 0.8 C6 A:XGF405 1.9 39.3 1.0 C5 A:XGF405 2.8 38.8 1.0 C8 A:XGF405 2.8 36.7 1.0 O A:HOH573 3.1 45.4 1.0 C1 A:EDO401 3.3 49.6 1.0 CB A:PHE49 3.8 55.8 1.0 CG A:PHE49 3.8 56.2 1.0 CD1 A:PHE49 3.9 56.3 1.0 CD1 A:ILE185 4.0 35.5 1.0 C4 A:XGF405 4.1 40.8 1.0 C9 A:XGF405 4.1 33.7 1.0 O1 A:EDO401 4.2 45.9 1.0 CG2 A:VAL52 4.3 35.7 1.0 C2 A:EDO401 4.3 37.9 1.0 CG1 A:VAL52 4.3 40.2 1.0 CD2 A:PHE49 4.5 56.5 1.0 CG2 A:ILE185 4.5 36.4 1.0 CB A:ILE185 4.6 33.8 1.0 C10 A:XGF405 4.6 35.4 1.0 CE1 A:PHE49 4.6 57.3 1.0 CB A:VAL52 4.8 37.4 1.0 CG1 A:ILE185 4.9 32.2 1.0 O A:PHE49 4.9 55.0 1.0

P.M.M.Hochban, M.Daude, A.Heine, W.E.Diederich. PIM1 in Complex with 5-Bromobenzo[D]Oxazol-2-Amine and Pimtide To Be Published.