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Yorodumi- PDB-1lhw: CRYSTAL STRUCTURE OF THE N-TERMINAL LG-DOMAIN OF SHBG IN COMPLEX ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1lhw | ||||||
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Title | CRYSTAL STRUCTURE OF THE N-TERMINAL LG-DOMAIN OF SHBG IN COMPLEX WITH 2-METHOXYESTRADIOL | ||||||
Components | SEX HORMONE-BINDING GLOBULIN | ||||||
Keywords | TRANSPORT PROTEIN / SHBG / 2-Methoxyestradiol | ||||||
Function / homology | Function and homology information androgen binding / steroid binding / extracellular exosome / extracellular region Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 1.75 Å | ||||||
Authors | Avvakumov, G.V. / Grishkovskaya, I. / Muller, Y.A. / Hammond, G.L. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2002 Title: Crystal structure of human sex hormone-binding globulin in complex with 2-methoxyestradiol reveals the molecular basis for high affinity interactions with C-2 derivatives of estradiol. Authors: Avvakumov, G.V. / Grishkovskaya, I. / Muller, Y.A. / Hammond, G.L. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1lhw.cif.gz | 52.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1lhw.ent.gz | 36.7 KB | Display | PDB format |
PDBx/mmJSON format | 1lhw.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1lhw_validation.pdf.gz | 754.9 KB | Display | wwPDB validaton report |
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Full document | 1lhw_full_validation.pdf.gz | 760.2 KB | Display | |
Data in XML | 1lhw_validation.xml.gz | 10.6 KB | Display | |
Data in CIF | 1lhw_validation.cif.gz | 14 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/lh/1lhw ftp://data.pdbj.org/pub/pdb/validation_reports/lh/1lhw | HTTPS FTP |
-Related structure data
Related structure data | 1d2sS S: Starting model for refinement |
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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
#1: Protein | Mass: 20972.832 Da / Num. of mol.: 1 / Fragment: LG-like 1 domain, Residues 30-218 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Plasmid: pGEX-2T / Production host: Escherichia coli (E. coli) / Strain (production host): JM109 / References: UniProt: P04278 |
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#2: Chemical | ChemComp-CA / |
#3: Chemical | ChemComp-ESM / |
#4: Chemical | ChemComp-IPA / |
#5: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.09 Å3/Da / Density % sol: 41.17 % | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: HEPES, Calcium chloride, 2-methoxyestradiol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 20 ℃ | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: EMBL/DESY, HAMBURG / Beamline: BW7B / Wavelength: 0.8453 Å |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: May 5, 2001 |
Radiation | Monochromator: triangular monochromator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.8453 Å / Relative weight: 1 |
Reflection | Resolution: 1.75→20 Å / Num. all: 17701 / Num. obs: 17701 / % possible obs: 99.4 % / Rmerge(I) obs: 0.031 |
Reflection shell | Resolution: 1.75→1.79 Å / Rmerge(I) obs: 0.286 / % possible all: 96.9 |
Reflection | *PLUS Lowest resolution: 20 Å / Num. measured all: 123818 |
Reflection shell | *PLUS % possible obs: 96.9 % |
-Processing
Software |
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Refinement | Method to determine structure: FOURIER SYNTHESIS Starting model: PDB ENTRY 1D2S Resolution: 1.75→19.09 Å / Data cutoff high absF: 10000 / Data cutoff high rms absF: 10000 / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 1.75→19.09 Å
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Refine LS restraints |
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Refinement | *PLUS Lowest resolution: 20 Å / Rfactor Rwork: 0.21 | ||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||
Refine LS restraints | *PLUS
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