Iodine in PDB 2fwz: Structure of Human HSP90-Alpha Bound to the Potent Water Soluble Inhibitor Pu-H71

The structure of Structure of Human HSP90-Alpha Bound to the Potent Water Soluble Inhibitor Pu-H71, PDB code: 2fwz 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)	36.37 / 2.10
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	66.680, 91.280, 98.640, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 22.8

The binding sites of Iodine atom in the Structure of Human HSP90-Alpha Bound to the Potent Water Soluble Inhibitor Pu-H71 (pdb code 2fwz). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Structure of Human HSP90-Alpha Bound to the Potent Water Soluble Inhibitor Pu-H71, PDB code: 2fwz:

Iodine binding site 1 out of 1 in the Structure of Human HSP90-Alpha Bound to the Potent Water Soluble Inhibitor Pu-H71


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of Human HSP90-Alpha Bound to the Potent Water Soluble Inhibitor Pu-H71 within 5.0Å range: probe atom residue distance (Å) B Occ A:I1001 b:21.5 occ:1.00 I A:H711001 0.0 21.5 1.0 C2' A:H711001 2.1 21.8 1.0 C3' A:H711001 3.0 22.8 1.0 C1' A:H711001 3.1 21.0 1.0 S A:H711001 3.4 17.1 1.0 O A:HOH1092 3.5 39.9 1.0 O A:HOH1010 4.0 20.1 1.0 O A:HOH1072 4.0 41.2 1.0 O A:GLY135 4.2 24.1 1.0 C4' A:H711001 4.4 22.4 1.0 CE2 A:TYR139 4.4 21.9 1.0 C91 A:H711001 4.4 22.2 1.0 C6' A:H711001 4.4 18.7 1.0 CB A:PHE138 4.5 16.7 1.0 CB A:LEU107 4.6 21.3 1.0 C92 A:H711001 4.6 23.0 1.0 O A:LEU107 4.7 23.9 1.0 O A:HOH1297 4.7 29.8 1.0 CD2 A:LEU107 4.7 19.5 1.0 O A:HOH1130 4.7 47.7 1.0 OH A:TYR139 4.8 25.0 1.0 C8 A:H711001 4.8 17.8 1.0 C5' A:H711001 4.9 20.7 1.0 CB A:ALA111 4.9 24.4 1.0 CZ A:TYR139 4.9 20.7 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