+Open data
-Basic information
Entry | Database: PDB / ID: 2iws | ||||||
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Title | Radicicol analogues bound to the ATP site of HSP90 | ||||||
Components | ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 | ||||||
Keywords | CHAPERONE / INHIBITOR / HEAT SHOCK / ATP-BINDING / MULTIGENE FAMILY / NUCLEOTIDE-BINDING | ||||||
Function / homology | Function and homology information The NLRP3 inflammasome / Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation / eNOS activation / Extra-nuclear estrogen signaling / VEGFR2 mediated vascular permeability / HSP90 chaperone cycle for steroid hormone receptors (SHR) in the presence of ligand / HSF1-dependent transactivation / HSF1 activation / response to oxygen levels / protein targeting to mitochondrion ...The NLRP3 inflammasome / Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation / eNOS activation / Extra-nuclear estrogen signaling / VEGFR2 mediated vascular permeability / HSP90 chaperone cycle for steroid hormone receptors (SHR) in the presence of ligand / HSF1-dependent transactivation / HSF1 activation / response to oxygen levels / protein targeting to mitochondrion / box C/D snoRNP assembly / regulation of telomere maintenance / response to osmotic stress / 'de novo' protein folding / protein maturation / proteasome assembly / Neutrophil degranulation / positive regulation of telomere maintenance via telomerase / ATP-dependent protein folding chaperone / unfolded protein binding / protein folding / cellular response to heat / protein refolding / protein stabilization / perinuclear region of cytoplasm / ATP hydrolysis activity / protein-containing complex / ATP binding / identical protein binding / nucleus / plasma membrane / cytoplasm / cytosol Similarity search - Function | ||||||
Biological species | SACCHAROMYCES CEREVISIAE (brewer's yeast) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.7 Å | ||||||
Authors | Roe, S.M. / Prodromou, C. / Pearl, L.H. | ||||||
Citation | Journal: Chem.Biol. / Year: 2006 Title: Inhibition of Hsp90 with Synthetic Macrolactones: Synthesis and Structural and Biological Evaluation of Ring and Conformational Analogs of Radicicol. Authors: Proisy, N. / Sharp, S.Y. / Boxall, K. / Connelly, S. / Roe, S.M. / Prodromou, C. / Slawin, A.M.Z. / Pearl, L.H. / Workman, P. / Moody, C.J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2iws.cif.gz | 57.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2iws.ent.gz | 41.2 KB | Display | PDB format |
PDBx/mmJSON format | 2iws.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2iws_validation.pdf.gz | 819.5 KB | Display | wwPDB validaton report |
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Full document | 2iws_full_validation.pdf.gz | 821.9 KB | Display | |
Data in XML | 2iws_validation.xml.gz | 11.3 KB | Display | |
Data in CIF | 2iws_validation.cif.gz | 14.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/iw/2iws ftp://data.pdbj.org/pub/pdb/validation_reports/iw/2iws | HTTPS FTP |
-Related structure data
Related structure data | 2cgfC 2iwuC 2iwxC 1ah6S S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 24208.582 Da / Num. of mol.: 1 / Fragment: N TERMINAL DOMAIN, RESIDUES 1-214 Source method: isolated from a genetically manipulated source Source: (gene. exp.) SACCHAROMYCES CEREVISIAE (brewer's yeast) Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: P02829 |
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#2: Chemical | ChemComp-NP4 / ( |
#3: Water | ChemComp-HOH / |
Compound details | MOLECULAR CHAPERONE THAT PROMOTES THE MATURATION, STRUCTURAL MAINTENANCE AND PROPER REGULATION OF ...MOLECULAR CHAPERONE THAT PROMOTES THE MATURATION |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.09 Å3/Da / Density % sol: 60 % |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID29 / Wavelength: 0.9763 |
Detector | Type: ADSC CCD / Detector: CCD / Date: Dec 10, 2005 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9763 Å / Relative weight: 1 |
Reflection | Resolution: 2.7→50 Å / Num. obs: 8730 / % possible obs: 99.6 % / Redundancy: 5 % / Biso Wilson estimate: 60 Å2 / Rmerge(I) obs: 0.07 / Net I/σ(I): 17.3 |
Reflection shell | Resolution: 2.7→2.85 Å / Redundancy: 5.2 % / Rmerge(I) obs: 0.37 / Mean I/σ(I) obs: 3.9 / % possible all: 99.6 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1AH6 Resolution: 2.7→40 Å / Cross valid method: THROUGHOUT
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Solvent computation | Bsol: 71.2 Å2 / ksol: 0.383 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 48 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.7→40 Å
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Refine LS restraints |
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