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Yorodumi- PDB-6cjr: Candida albicans Hsp90 nucleotide binding domain in complex with ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6cjr | ||||||
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Title | Candida albicans Hsp90 nucleotide binding domain in complex with SNX-2112 | ||||||
Components | Heat shock protein 90 homolog | ||||||
Keywords | CHAPERONE / Hsp90. ATPase | ||||||
Function / homology | Function and homology information negative regulation of filamentous growth of a population of unicellular organisms / filamentous growth of a population of unicellular organisms / hyphal cell wall / fungal-type cell wall / filamentous growth / nuclear receptor-mediated steroid hormone signaling pathway / ATP-dependent protein folding chaperone / extracellular vesicle / unfolded protein binding / protein folding ...negative regulation of filamentous growth of a population of unicellular organisms / filamentous growth of a population of unicellular organisms / hyphal cell wall / fungal-type cell wall / filamentous growth / nuclear receptor-mediated steroid hormone signaling pathway / ATP-dependent protein folding chaperone / extracellular vesicle / unfolded protein binding / protein folding / cellular response to heat / regulation of apoptotic process / protein stabilization / perinuclear region of cytoplasm / cell surface / ATP hydrolysis activity / protein-containing complex / ATP binding / membrane / plasma membrane / cytoplasm / cytosol Similarity search - Function | ||||||
Biological species | Candida albicans (yeast) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.8 Å | ||||||
Authors | Kirkpatrick, M.G. / Pizarro, J.C. | ||||||
Funding support | United States, 1items
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Citation | Journal: Nat Commun / Year: 2019 Title: Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus. Authors: Whitesell, L. / Robbins, N. / Huang, D.S. / McLellan, C.A. / Shekhar-Guturja, T. / LeBlanc, E.V. / Nation, C.S. / Hui, R. / Hutchinson, A. / Collins, C. / Chatterjee, S. / Trilles, R. / Xie, ...Authors: Whitesell, L. / Robbins, N. / Huang, D.S. / McLellan, C.A. / Shekhar-Guturja, T. / LeBlanc, E.V. / Nation, C.S. / Hui, R. / Hutchinson, A. / Collins, C. / Chatterjee, S. / Trilles, R. / Xie, J.L. / Krysan, D.J. / Lindquist, S. / Porco Jr., J.A. / Tatu, U. / Brown, L.E. / Pizarro, J. / Cowen, L.E. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6cjr.cif.gz | 181.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6cjr.ent.gz | 142.2 KB | Display | PDB format |
PDBx/mmJSON format | 6cjr.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6cjr_validation.pdf.gz | 870.7 KB | Display | wwPDB validaton report |
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Full document | 6cjr_full_validation.pdf.gz | 874.4 KB | Display | |
Data in XML | 6cjr_validation.xml.gz | 20.6 KB | Display | |
Data in CIF | 6cjr_validation.cif.gz | 29.7 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/cj/6cjr ftp://data.pdbj.org/pub/pdb/validation_reports/cj/6cjr | HTTPS FTP |
-Related structure data
Related structure data | 6cjiSC 6cjjC 6cjlC 6cjpC 6cjsC 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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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 26208.641 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Candida albicans (strain SC5314 / ATCC MYA-2876) (yeast) Strain: SC5314 / ATCC MYA-2876 Gene: HSP90, CAALFM_C702030WA, CaJ7.0234, CaO19.13868, CaO19.6515 Plasmid: pET15-MHL / Production host: Escherichia coli (E. coli) / Strain (production host): Rossetta 2 / References: UniProt: P46598 #2: Chemical | ChemComp-E0G / | #3: Chemical | ChemComp-EDO / | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.82 Å3/Da / Density % sol: 56.44 % |
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Crystal grow | Temperature: 298.15 K / Method: vapor diffusion, sitting drop / pH: 6.5 / Details: 0.1M Bis-Tris 0.2M MgCl2 25% PEG 3350 |
-Data collection
Diffraction | Mean temperature: 120 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 23-ID-D / Wavelength: 1.03319 Å |
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Nov 18, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.03319 Å / Relative weight: 1 |
Reflection | Resolution: 1.79→50 Å / Num. obs: 53380 / % possible obs: 99.08 % / Redundancy: 6.7 % / Rmerge(I) obs: 0.078 / Net I/σ(I): 15.36 |
Reflection shell | Resolution: 1.79→1.86 Å / Redundancy: 4.9 % / Mean I/σ(I) obs: 1.38 / Num. unique obs: 4969 / % possible all: 92.81 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 6CJI Resolution: 1.8→27.3 Å / Cross valid method: FREE R-VALUE / Details: Twin law=h,-k,-l (Twin fraction=0.20)
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Refinement step | Cycle: LAST / Resolution: 1.8→27.3 Å
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