Chlorine in PDB 2wer: Yeast HSP90 N-Terminal Domain Li-IV Mutant with Radicicol

The structure of Yeast HSP90 N-Terminal Domain Li-IV Mutant with Radicicol, PDB code: 2wer was solved by S.M.Roe, C.Prodromou, L.H.Pearl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	110.43 / 1.60
Space group	P 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	74.007, 74.053, 110.193, 90.00, 90.00, 90.00
R / Rfree (%)	24.318 / 27.337

The binding sites of Chlorine atom in the Yeast HSP90 N-Terminal Domain Li-IV Mutant with Radicicol (pdb code 2wer). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Yeast HSP90 N-Terminal Domain Li-IV Mutant with Radicicol, PDB code: 2wer:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Yeast HSP90 N-Terminal Domain Li-IV Mutant with Radicicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Yeast HSP90 N-Terminal Domain Li-IV Mutant with Radicicol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1215 b:29.4 occ:1.00 CL1 A:RDC1215 0.0 29.4 1.0 C6 A:RDC1215 1.7 25.9 1.0 C7 A:RDC1215 2.8 24.8 1.0 C5 A:RDC1215 2.8 24.2 1.0 C9 A:RDC1215 3.0 29.3 1.0 O4 A:RDC1215 3.0 25.9 1.0 C8 A:RDC1215 3.0 23.5 1.0 CD1 A:PHE124 3.1 24.4 1.0 O5 A:RDC1215 3.2 32.2 1.0 O A:HOH2143 3.4 39.6 1.0 C10 A:RDC1215 3.6 32.9 1.0 CG A:PHE124 3.7 24.4 1.0 OD1 A:ASN37 3.8 32.5 1.0 CB A:PHE124 3.8 24.1 1.0 CE1 A:PHE124 3.9 24.1 1.0 C4 A:RDC1215 4.1 22.7 1.0 C2 A:RDC1215 4.1 20.8 1.0 CD2 A:LEU93 4.3 27.3 1.0 CG A:ASN37 4.4 26.5 1.0 C11 A:RDC1215 4.4 31.8 1.0 CB A:ASN37 4.4 25.3 1.0 CD1 A:LEU173 4.6 23.5 1.0 C3 A:RDC1215 4.7 20.1 1.0 CA A:PHE124 4.7 24.4 1.0 CD2 A:PHE124 4.8 24.8 1.0 CD2 A:LEU173 4.8 26.0 1.0 O A:HOH2087 4.9 34.1 1.0 CZ A:PHE124 4.9 25.4 1.0

Chlorine binding site 2 out of 2 in the Yeast HSP90 N-Terminal Domain Li-IV Mutant with Radicicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Yeast HSP90 N-Terminal Domain Li-IV Mutant with Radicicol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1215 b:29.6 occ:1.00 CL1 B:RDC1215 0.0 29.6 1.0 C6 B:RDC1215 1.7 25.8 1.0 C7 B:RDC1215 2.8 24.1 1.0 C5 B:RDC1215 2.8 23.1 1.0 C9 B:RDC1215 3.0 27.1 1.0 O4 B:RDC1215 3.0 25.4 1.0 CD1 B:PHE124 3.0 25.0 1.0 C8 B:RDC1215 3.1 24.1 1.0 O5 B:RDC1215 3.2 33.1 1.0 O B:HOH2140 3.4 39.4 1.0 C10 B:RDC1215 3.6 31.5 1.0 OD1 B:ASN37 3.6 32.8 1.0 CG B:PHE124 3.7 24.0 1.0 CB B:PHE124 3.8 23.1 1.0 CE1 B:PHE124 3.8 25.6 1.0 C4 B:RDC1215 4.1 21.8 1.0 C2 B:RDC1215 4.1 21.5 1.0 CD2 B:LEU93 4.3 26.7 1.0 CG B:ASN37 4.3 26.7 1.0 C11 B:RDC1215 4.3 30.9 1.0 CB B:ASN37 4.4 25.5 1.0 CD1 B:LEU173 4.5 22.6 1.0 CA B:PHE124 4.6 24.0 1.0 C3 B:RDC1215 4.7 19.1 1.0 CD2 B:LEU173 4.7 25.8 1.0 CD2 B:PHE124 4.8 25.1 1.0 CZ B:PHE124 4.9 24.8 1.0 O B:HOH2079 4.9 36.5 1.0

C.Prodromou, J.M.Nuttall, S.H.Millson, S.M.Roe, T.S.Sim, D.Tan, P.Workman, L.H.Pearl, P.W.Piper. Structural Basis of the Radicicol Resistance Displayed By A Fungal HSP90. Acs Chem.Biol. V. 4 289 2009.
ISSN: ISSN 1554-8929
PubMed: 19236053
DOI: 10.1021/CB9000316