Bromine in PDB 2fwy: Structure of Human HSP90-Alpha Bound to the Potent Water Soluble Inhibitor Pu-H64

The structure of Structure of Human HSP90-Alpha Bound to the Potent Water Soluble Inhibitor Pu-H64, PDB code: 2fwy was solved by R.M.Immormino, D.T.Gewirth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.27 / 2.10
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	66.609, 90.586, 98.034, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 22.2

The binding sites of Bromine atom in the Structure of Human HSP90-Alpha Bound to the Potent Water Soluble Inhibitor Pu-H64 (pdb code 2fwy). 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 Structure of Human HSP90-Alpha Bound to the Potent Water Soluble Inhibitor Pu-H64, PDB code: 2fwy:

Bromine binding site 1 out of 1 in the Structure of Human HSP90-Alpha Bound to the Potent Water Soluble Inhibitor Pu-H64


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Human HSP90-Alpha Bound to the Potent Water Soluble Inhibitor Pu-H64 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1001 b:33.0 occ:0.82 BR A:H641001 0.0 33.0 0.8 C2' A:H641001 1.9 29.6 1.0 C3' A:H641001 2.8 28.5 1.0 C1' A:H641001 2.9 29.6 1.0 S A:H641001 3.3 25.4 1.0 O A:HOH1102 3.4 74.3 1.0 O A:HOH1099 3.5 36.7 1.0 O A:HOH1010 3.7 27.0 1.0 O A:HOH1075 3.8 44.1 1.0 C4' A:H641001 4.2 29.6 1.0 CB A:PHE138 4.2 25.8 1.0 C6' A:H641001 4.2 27.8 1.0 CE2 A:TYR139 4.4 31.5 1.0 O A:GLY135 4.4 34.8 1.0 C91 A:H641001 4.4 28.7 1.0 O A:HOH1131 4.4 57.6 1.0 C92 A:H641001 4.6 33.9 1.0 CB A:LEU107 4.6 30.7 1.0 C5' A:H641001 4.7 29.7 1.0 C8 A:H641001 4.7 25.8 1.0 CG A:PHE138 4.7 25.2 1.0 OH A:TYR139 4.7 38.2 1.0 CD2 A:PHE138 4.8 25.1 1.0 O A:LEU107 4.8 30.3 1.0 CD1 A:LEU107 4.9 30.2 1.0 CZ A:TYR139 4.9 33.1 1.0

R.M.Immormino, Y.Kang, G.Chiosis, D.T.Gewirth. Structural and Quantum Chemical Studies of 8-Aryl-Sulfanyl Adenine Class HSP90 Inhibitors. J.Med.Chem. V. 49 4953 2006.
ISSN: ISSN 0022-2623
PubMed: 16884307
DOI: 10.1021/JM060297X