Chlorine in PDB 3inw: HSP90 N-Terminal Domain with Pochoxime A

All present enzymatic activity of HSP90 N-Terminal Domain with Pochoxime A:
3.6.4.10;

The structure of HSP90 N-Terminal Domain with Pochoxime A, PDB code: 3inw was solved by I.P.Korndoerfer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.30 / 1.95
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	68.050, 90.690, 98.750, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 24.2

The binding sites of Chlorine atom in the HSP90 N-Terminal Domain with Pochoxime A (pdb code 3inw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the HSP90 N-Terminal Domain with Pochoxime A, PDB code: 3inw:

Chlorine binding site 1 out of 1 in the HSP90 N-Terminal Domain with Pochoxime A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of HSP90 N-Terminal Domain with Pochoxime A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2001 b:24.9 occ:1.00 CL A:JZB2001 0.0 24.9 1.0 C3 A:JZB2001 1.7 23.2 1.0 C4 A:JZB2001 2.7 21.1 1.0 C2 A:JZB2001 2.7 19.9 1.0 O3 A:JZB2001 2.9 22.4 1.0 C7 A:JZB2001 2.9 20.7 1.0 C9 A:JZB2001 3.1 25.7 1.0 CD1 A:PHE138 3.3 25.3 1.0 OD1 A:ASN51 3.3 24.7 1.0 N1 A:JZB2001 3.4 26.6 1.0 O5 A:JZB2001 3.5 34.8 1.0 CB A:PHE138 3.6 23.9 1.0 CG A:PHE138 3.7 23.9 1.0 C10 A:JZB2001 3.9 25.5 1.0 C5 A:JZB2001 4.0 23.6 1.0 C20 A:JZB2001 4.0 30.1 1.0 C1 A:JZB2001 4.0 20.9 1.0 C21 A:JZB2001 4.1 31.8 1.0 CG A:ASN51 4.2 23.6 1.0 CE1 A:PHE138 4.3 22.4 1.0 CB A:ASN51 4.3 19.2 1.0 C18 A:JZB2001 4.4 30.9 1.0 C6 A:JZB2001 4.5 21.4 1.0 CA A:PHE138 4.6 23.1 1.0 CD2 A:LEU48 4.6 19.6 1.0 CD2 A:PHE138 4.9 25.2 1.0 CG2 A:VAL186 4.9 20.0 1.0 C16 A:JZB2001 5.0 27.2 1.0 O A:HOH305 5.0 26.6 1.0

S.Barluenga, J.G.Fontaine, C.Wang, K.Aouadi, R.Chen, K.Beebe, L.Neckers, N.Winssinger. Inhibition of HSP90 with Pochoximes: Sar and Structure-Based Insights. Chembiochem V. 10 2753 2009.
ISSN: ISSN 1439-4227
PubMed: 19856365
DOI: 10.1002/CBIC.200900494