Chlorine in PDB 2vcj: 4,5 Diaryl Isoxazole HSP90 Chaperone Inhibitors: Potential Therapeutic Agents For the Treatment of Cancer

The structure of 4,5 Diaryl Isoxazole HSP90 Chaperone Inhibitors: Potential Therapeutic Agents For the Treatment of Cancer, PDB code: 2vcj was solved by P.A.Brough, W.Aherne, X.Barril, J.Borgognoni, K.Boxal, J.E.Cansfield, K.M.Cheung, I.Collins, N.G.M.Davies, M.J.Drysdale, B.Dymock, S.A.Eccles, H.Finch, A.Fink, A.Hayes, R.Howes, R.E.Hubbard, K.James, A.M.Jordan, A.Lockie, V.Martins, A.Massey, T.P.Matthews, E.Mcdonald, C.J.Northfield, L.H.Pearl, C.Prodromou, S.Ray, F.I.Raynaud, S.D.Roughley, S.Y.Sharp, A.Surgenor, D.L.Walmsley, P.Webb, M.Wood, P.Workman, L.Wright, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.94 / 2.50
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	66.038, 89.289, 99.516, 90.00, 90.00, 90.00
R / Rfree (%)	22.1 / 30.5

The binding sites of Chlorine atom in the 4,5 Diaryl Isoxazole HSP90 Chaperone Inhibitors: Potential Therapeutic Agents For the Treatment of Cancer (pdb code 2vcj). 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 4,5 Diaryl Isoxazole HSP90 Chaperone Inhibitors: Potential Therapeutic Agents For the Treatment of Cancer, PDB code: 2vcj:

Chlorine binding site 1 out of 1 in the 4,5 Diaryl Isoxazole HSP90 Chaperone Inhibitors: Potential Therapeutic Agents For the Treatment of Cancer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 4,5 Diaryl Isoxazole HSP90 Chaperone Inhibitors: Potential Therapeutic Agents For the Treatment of Cancer within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1224 b:58.2 occ:1.00 CL1 A:2EQ1224 0.0 58.2 1.0 C4 A:2EQ1224 1.7 57.1 1.0 C3 A:2EQ1224 2.6 54.9 1.0 C6 A:2EQ1224 2.7 56.5 1.0 O2 A:2EQ1224 2.8 55.0 1.0 ND2 A:ASN51 3.2 54.5 1.0 CD1 A:PHE138 3.7 54.5 1.0 C2 A:2EQ1224 3.9 55.5 1.0 C5 A:2EQ1224 4.0 55.5 1.0 CB A:PHE138 4.1 55.9 1.0 CG A:PHE138 4.1 55.6 1.0 CG A:ASN51 4.1 57.5 1.0 CB A:ASN51 4.2 57.5 1.0 CD2 A:LEU107 4.2 66.5 1.0 CE1 A:PHE138 4.4 52.5 1.0 C1 A:2EQ1224 4.5 54.7 1.0 CD2 A:LEU48 4.5 62.5 1.0 O A:HOH2034 4.7 65.7 1.0 CB A:LEU107 4.9 67.5 1.0 C18 A:2EQ1224 4.9 60.5 1.0 C17 A:2EQ1224 4.9 62.0 1.0 CA A:PHE138 4.9 56.2 1.0

P.A.Brough, W.Aherne, X.Barril, J.Borgognoni, K.Boxall, J.E.Cansfield, K.M.Cheung, I.Collins, N.G.Davies, M.J.Drysdale, B.Dymock, S.A.Eccles, H.Finch, A.Fink, A.Hayes, R.Howes, R.E.Hubbard, K.James, A.M.Jordan, A.Lockie, V.Martins, A.Massey, T.P.Matthews, E.Mcdonald, C.J.Northfield, L.H.Pearl, C.Prodromou, S.Ray, F.I.Raynaud, S.D.Roughley, S.Y.Sharp, A.Surgenor, D.L.Walmsley, P.Webb, M.Wood, P.Workman, L.Wright. 4,5-Diarylisoxazole HSP90 Chaperone Inhibitors: Potential Therapeutic Agents For the Treatment of Cancer. J. Med. Chem. V. 51 196 2008.
ISSN: ISSN 0022-2623
PubMed: 18020435
DOI: 10.1021/JM701018H