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Yorodumi- PDB-6e5w: Crystal structure of human cellular retinol binding protein 3 in ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6e5w | ||||||
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Title | Crystal structure of human cellular retinol binding protein 3 in complex with abnormal-cannabidiol (abn-CBD) | ||||||
Components | Retinol-binding protein 5 | ||||||
Keywords | LIPID BINDING PROTEIN / vitamin A / retinol / abn-CBD / abnormal cannabidiol / cellular retinol-binding protein / CRBP3 | ||||||
Function / homology | Function and homology information retinoid binding / retinal binding / retinol binding / fatty acid transport / fatty acid binding / extracellular exosome / nucleus / cytosol Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.5 Å | ||||||
Authors | Silvaroli, J.A. / Banerjee, S. / Kiser, P.D. / Golczak, M. | ||||||
Funding support | United States, 1items
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Citation | Journal: Acs Chem.Biol. / Year: 2019 Title: Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1. Authors: Silvaroli, J.A. / Widjaja-Adhi, M.A.K. / Trischman, T. / Chelstowska, S. / Horwitz, S. / Banerjee, S. / Kiser, P.D. / Blaner, W.S. / Golczak, M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6e5w.cif.gz | 336.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6e5w.ent.gz | 282.1 KB | Display | PDB format |
PDBx/mmJSON format | 6e5w.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6e5w_validation.pdf.gz | 1.6 MB | Display | wwPDB validaton report |
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Full document | 6e5w_full_validation.pdf.gz | 1.6 MB | Display | |
Data in XML | 6e5w_validation.xml.gz | 23.9 KB | Display | |
Data in CIF | 6e5w_validation.cif.gz | 32.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/e5/6e5w ftp://data.pdbj.org/pub/pdb/validation_reports/e5/6e5w | HTTPS FTP |
-Related structure data
Related structure data | 6e5lC 6e5tC 6e6kC 6e6mC 1gglS 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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3 |
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4 |
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Unit cell |
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-Components
#1: Protein | Mass: 16419.840 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: RBP5 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P82980 #2: Chemical | ChemComp-HVD / ( #3: Chemical | ChemComp-GOL / #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: 2.91 Å3/Da / Density % sol: 57.78 % |
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Crystal grow | Temperature: 297 K / Method: vapor diffusion, sitting drop / pH: 5 / Details: 0.2M sodium malonate, pH 5.0 20% PEG 3350 |
-Data collection
Diffraction | Mean temperature: 80 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.9791 Å |
Detector | Type: DECTRIS PILATUS 6M / Detector: CCD / Date: Nov 5, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9791 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→99.8 Å / Num. obs: 27540 / % possible obs: 99.9 % / Redundancy: 5.8 % / CC1/2: 0.99 / Rmerge(I) obs: 0.17 / Rpim(I) all: 0.08 / Net I/σ(I): 7.2 |
Reflection shell | Resolution: 2.5→2.6 Å / Rmerge(I) obs: 0.87 / Mean I/σ(I) obs: 2.7 / Num. unique obs: 3005 / CC1/2: 0.8 / Rpim(I) all: 0.61 / % possible all: 99.9 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1GGL Resolution: 2.5→99.773 Å / SU ML: 0.27 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 26.64
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.5→99.773 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Origin x: 37.6182 Å / Origin y: 0.2439 Å / Origin z: 18.3736 Å
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Refinement TLS group | Selection details: all |