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Open data
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Basic information
Entry | Database: PDB / ID: 2xhr | ||||||
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Title | Structure of HSP90 with small molecule inhibitor bound | ||||||
![]() | HEAT SHOCK PROTEIN HSP 90-ALPHA | ||||||
![]() | CHAPERONE / ATP BINDING DOMAIN / N-TERMINAL DOMAIN / STRESS RESPONSE | ||||||
Function / homology | ![]() sperm mitochondrial sheath / dATP binding / Scavenging by Class F Receptors / sulfonylurea receptor binding / CTP binding / positive regulation of protein polymerization / vRNP Assembly / UTP binding / sperm plasma membrane / positive regulation of tau-protein kinase activity ...sperm mitochondrial sheath / dATP binding / Scavenging by Class F Receptors / sulfonylurea receptor binding / CTP binding / positive regulation of protein polymerization / vRNP Assembly / UTP binding / sperm plasma membrane / positive regulation of tau-protein kinase activity / protein insertion into mitochondrial outer membrane / chaperone-mediated autophagy / telomerase holoenzyme complex assembly / Uptake and function of diphtheria toxin / Rho GDP-dissociation inhibitor binding / mitochondrial transport / Drug-mediated inhibition of ERBB2 signaling / Resistance of ERBB2 KD mutants to trastuzumab / Resistance of ERBB2 KD mutants to sapitinib / Resistance of ERBB2 KD mutants to tesevatinib / Resistance of ERBB2 KD mutants to neratinib / Resistance of ERBB2 KD mutants to osimertinib / Resistance of ERBB2 KD mutants to afatinib / Resistance of ERBB2 KD mutants to AEE788 / Resistance of ERBB2 KD mutants to lapatinib / Drug resistance in ERBB2 TMD/JMD mutants / PIWI-interacting RNA (piRNA) biogenesis / TPR domain binding / non-chaperonin molecular chaperone ATPase / regulation of postsynaptic membrane neurotransmitter receptor levels / dendritic growth cone / Sema3A PAK dependent Axon repulsion / regulation of protein ubiquitination / skeletal muscle contraction / HSF1-dependent transactivation / positive regulation of cell size / response to unfolded protein / telomere maintenance via telomerase / chaperone-mediated protein complex assembly / protein unfolding / HSF1 activation / regulation of protein-containing complex assembly / Attenuation phase / RHOBTB2 GTPase cycle / eNOS activation / positive regulation of lamellipodium assembly / axonal growth cone / DNA polymerase binding / Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation / Loss of Nlp from mitotic centrosomes / Loss of proteins required for interphase microtubule organization from the centrosome / Recruitment of mitotic centrosome proteins and complexes / positive regulation of telomerase activity / positive regulation of cardiac muscle contraction / Signaling by ERBB2 / cardiac muscle cell apoptotic process / positive regulation of defense response to virus by host / endocytic vesicle lumen / Recruitment of NuMA to mitotic centrosomes / response to salt stress / Anchoring of the basal body to the plasma membrane / HSP90 chaperone cycle for steroid hormone receptors (SHR) in the presence of ligand / activation of innate immune response / nitric-oxide synthase regulator activity / positive regulation of interferon-beta production / response to cold / Constitutive Signaling by Overexpressed ERBB2 / AURKA Activation by TPX2 / lysosomal lumen / ESR-mediated signaling / protein tyrosine kinase binding / VEGFR2 mediated vascular permeability / response to cocaine / brush border membrane / ATP-dependent protein folding chaperone / Signaling by ERBB2 TMD/JMD mutants / neuron migration / DDX58/IFIH1-mediated induction of interferon-alpha/beta / Constitutive Signaling by EGFRvIII / Signaling by ERBB2 ECD mutants / tau protein binding / Signaling by ERBB2 KD Mutants / Regulation of necroptotic cell death / Regulation of actin dynamics for phagocytic cup formation / cellular response to virus / Downregulation of ERBB2 signaling / VEGFA-VEGFR2 Pathway / histone deacetylase binding / Aggrephagy / Chaperone Mediated Autophagy / positive regulation of protein import into nucleus / response to estrogen / positive regulation of protein catabolic process / The role of GTSE1 in G2/M progression after G2 checkpoint / regulation of protein localization / Regulation of PLK1 Activity at G2/M Transition / positive regulation of nitric oxide biosynthetic process / unfolded protein binding / disordered domain specific binding / melanosome Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() | ||||||
![]() | Murray, C.W. / Carr, M.G. / Callaghan, O. / Chessari, G. / Congreve, M. / Cowan, S. / Coyle, J.E. / Downham, R. / Figueroa, E. / Frederickson, M. ...Murray, C.W. / Carr, M.G. / Callaghan, O. / Chessari, G. / Congreve, M. / Cowan, S. / Coyle, J.E. / Downham, R. / Figueroa, E. / Frederickson, M. / Graham, B. / McMenamin, R. / OBrien, M.A. / Patel, S. / Phillips, T.R. / Williams, G. / Woodhead, A.J. / Woolford, A.J.A. | ||||||
![]() | ![]() Title: Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency. Authors: Murray, C.W. / Carr, M.G. / Callaghan, O. / Chessari, G. / Congreve, M. / Cowan, S. / Coyle, J.E. / Downham, R. / Figueroa, E. / Frederickson, M. / Graham, B. / Mcmenamin, R. / O'Brien, M.A. ...Authors: Murray, C.W. / Carr, M.G. / Callaghan, O. / Chessari, G. / Congreve, M. / Cowan, S. / Coyle, J.E. / Downham, R. / Figueroa, E. / Frederickson, M. / Graham, B. / Mcmenamin, R. / O'Brien, M.A. / Patel, S. / Phillips, T.R. / Williams, G. / Woodhead, A.J. / Woolford, A.J.A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 57.5 KB | Display | ![]() |
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PDB format | ![]() | 41.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 782.7 KB | Display | ![]() |
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Full document | ![]() | 788.7 KB | Display | |
Data in XML | ![]() | 11.3 KB | Display | |
Data in CIF | ![]() | 14.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2xdkC ![]() 2xdlC ![]() 2xdsC ![]() 2xduC ![]() 2xdxC ![]() 2xhtC ![]() 2xhxC ![]() 2xk2C ![]() 2cdd C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 27959.336 Da / Num. of mol.: 1 / Fragment: N-TERMINAL DOMAIN (9-236) Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Chemical | ChemComp-C0P / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.61 Å3/Da / Density % sol: 52.82 % / Description: NONE |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54718 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→36.19 Å / Num. obs: 15199 / % possible obs: 99.2 % / Observed criterion σ(I): 0 / Redundancy: 2.5 % / Biso Wilson estimate: 52.394 Å2 / Rmerge(I) obs: 0.1 |
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Processing
Software | Name: BUSTER-TNT / Version: 2.5.1 / Classification: refinement | ||||||||||||||||||||
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Refinement | Method to determine structure: OTHER Starting model: NONE Resolution: 2.2→36.2 Å / Cross valid method: THROUGHOUT / σ(F): 0
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Displacement parameters | Biso mean: 51.83 Å2
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Refinement step | Cycle: LAST / Resolution: 2.2→36.2 Å
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LS refinement shell | Resolution: 2.2→2.33 Å / Total num. of bins used: 9
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