Chlorine in PDB 3b27: HSP90 Alpha N-Terminal Domain in Complex with An Inhibitor RO4919127

The structure of HSP90 Alpha N-Terminal Domain in Complex with An Inhibitor RO4919127, PDB code: 3b27 was solved by T.A.Fukami, N.Ono, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.74 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.524, 43.996, 53.804, 90.00, 113.90, 90.00
R / Rfree (%)	18.5 / 20.8

The binding sites of Chlorine atom in the HSP90 Alpha N-Terminal Domain in Complex with An Inhibitor RO4919127 (pdb code 3b27). 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 Alpha N-Terminal Domain in Complex with An Inhibitor RO4919127, PDB code: 3b27:

Chlorine binding site 1 out of 1 in the HSP90 Alpha N-Terminal Domain in Complex with An Inhibitor RO4919127


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of HSP90 Alpha N-Terminal Domain in Complex with An Inhibitor RO4919127 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:17.8 occ:1.00 CL18 A:B2T1 0.0 17.8 1.0 C17 A:B2T1 1.7 16.5 1.0 C16 A:B2T1 2.7 17.1 1.0 C12 A:B2T1 2.8 16.8 1.0 C11 A:B2T1 3.1 15.6 1.0 N10 A:B2T1 3.1 12.2 1.0 O A:HOH298 3.4 14.9 1.0 CE A:MET98 3.8 16.4 1.0 CD2 A:LEU107 3.9 16.8 1.0 CD1 A:PHE138 4.0 15.1 1.0 C15 A:B2T1 4.0 17.5 1.0 CG1 A:VAL150 4.0 14.3 1.0 CE1 A:PHE138 4.0 14.8 1.0 N4 A:B2T1 4.0 15.8 1.0 C13 A:B2T1 4.1 19.6 1.0 C6 A:B2T1 4.1 13.1 1.0 CD1 A:LEU107 4.1 17.8 1.0 CG2 A:THR184 4.3 15.2 1.0 CG2 A:VAL186 4.4 13.1 1.0 CG2 A:VAL150 4.4 12.7 1.0 CG A:LEU107 4.4 16.8 1.0 C14 A:B2T1 4.5 20.1 1.0 N7 A:B2T1 4.7 13.2 1.0 CZ A:PHE138 4.8 15.6 1.0 CG A:PHE138 4.8 13.5 1.0 CB A:VAL150 4.8 13.2 1.0 C3 A:B2T1 4.8 14.1 1.0 N5 A:B2T1 4.8 13.4 1.0 SD A:MET98 4.9 16.9 1.0

T.Miura, T.A.Fukami, K.Hasegawa, N.Ono, A.Suda, H.Shindo, D.O.Yoon, S.J.Kim, Y.J.Na, Y.Aoki, N.Shimma, T.Tsukuda, Y.Shiratori. Lead Generation of Heat Shock Protein 90 Inhibitors By A Combination of Fragment-Based Approach, Virtual Screening, and Structure-Based Drug Design Bioorg.Med.Chem.Lett. V. 21 5778 2011.
ISSN: ISSN 0960-894X
PubMed: 21875802
DOI: 10.1016/J.BMCL.2011.08.001