Chlorine in PDB 2xd6: HSP90 Complexed with A Resorcylic Acid Macrolactone.

The structure of HSP90 Complexed with A Resorcylic Acid Macrolactone., PDB code: 2xd6 was solved by S.M.Roe, C.Prodromou, L.H.Pearl, C.J.Moody, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.61 / 2.20
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	73.767, 73.767, 110.284, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 22.8

The binding sites of Chlorine atom in the HSP90 Complexed with A Resorcylic Acid Macrolactone. (pdb code 2xd6). 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 Complexed with A Resorcylic Acid Macrolactone., PDB code: 2xd6:

Chlorine binding site 1 out of 1 in the HSP90 Complexed with A Resorcylic Acid Macrolactone.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of HSP90 Complexed with A Resorcylic Acid Macrolactone. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1215 b:22.8 occ:1.00 CL1 A:XD61215 0.0 22.8 1.0 C6 A:XD61215 1.7 22.2 1.0 C7 A:XD61215 2.8 20.9 1.0 C5 A:XD61215 2.8 13.2 1.0 O4 A:XD61215 3.0 22.6 1.0 C8 A:XD61215 3.1 25.2 1.0 CD1 A:PHE124 3.1 9.3 1.0 C9 A:XD61215 3.3 29.7 1.0 ND2 A:ASN37 3.4 19.9 1.0 O5 A:XD61215 3.6 20.9 1.0 CG A:PHE124 3.7 19.2 1.0 CB A:PHE124 3.8 16.8 1.0 CE1 A:PHE124 3.9 19.1 1.0 C2 A:XD61215 4.1 20.0 1.0 C4 A:XD61215 4.2 17.0 1.0 C10 A:XD61215 4.2 34.5 1.0 CD2 A:LEU93 4.3 22.2 1.0 CG A:ASN37 4.3 19.4 1.0 CB A:ASN37 4.4 15.4 1.0 C3 A:XD61215 4.7 11.2 1.0 CD2 A:PHE124 4.7 18.7 1.0 CA A:PHE124 4.7 15.9 1.0 CD1 A:LEU173 4.7 8.9 1.0 CD2 A:LEU173 4.7 13.3 1.0 O A:HOH2137 4.9 18.0 1.0 CZ A:PHE124 4.9 18.6 1.0

J.E.H.Day, S.Y.Sharp, M.G.Rowlands, W.Aherne, W.Lewis, S.M.Roe, C.Prodromou, L.H.Pearl, P.Workman, C.J.Moody. Inhibition of HSP90 with Resorcylic Acid Macrolactones. Synthesis and Binding Studies. Chemistry V. 16 10366 2010.
ISSN: ISSN 0947-6539
PubMed: 20661961
DOI: 10.1002/CHEM.201001119