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- PDB-5y0g: Crystal structure of human FABP4 complexed with ligand 4-Fluoro-3... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5y0g | ||||||
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Title | Crystal structure of human FABP4 complexed with ligand 4-Fluoro-3-((4-methoxynaphthalene)-1-sulfonamido) benzoic acid | ||||||
![]() | Fatty acid-binding protein, adipocyte | ||||||
![]() | LIPID BINDING PROTEIN / FABP4 / inhibitor | ||||||
Function / homology | ![]() hormone receptor binding / long-chain fatty acid transmembrane transporter activity / cellular response to lithium ion / long-chain fatty acid binding / Triglyceride catabolism / white fat cell differentiation / fatty acid transport / long-chain fatty acid transport / brown fat cell differentiation / lipid droplet ...hormone receptor binding / long-chain fatty acid transmembrane transporter activity / cellular response to lithium ion / long-chain fatty acid binding / Triglyceride catabolism / white fat cell differentiation / fatty acid transport / long-chain fatty acid transport / brown fat cell differentiation / lipid droplet / cholesterol homeostasis / fatty acid binding / response to bacterium / Transcriptional regulation of white adipocyte differentiation / positive regulation of inflammatory response / cellular response to tumor necrosis factor / positive regulation of cold-induced thermogenesis / negative regulation of DNA-templated transcription / extracellular exosome / nucleus / cytoplasm / cytosol Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Su, H.X. / Liu, Q.F. / Xu, Y.C. | ||||||
Funding support | ![]()
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![]() | ![]() Title: From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4 Authors: Gao, D.D. / Dou, H.X. / Su, H.X. / Zhang, M.M. / Wang, T. / Liu, Q.F. / Cai, H.Y. / Ding, H.P. / Yang, Z. / Zhu, W.L. / Xu, Y.C. / Wang, H.Y. / Li, Y.X. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 45.3 KB | Display | ![]() |
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PDB format | ![]() | 28.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 843.5 KB | Display | ![]() |
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Full document | ![]() | 843.5 KB | Display | |
Data in XML | ![]() | 8.3 KB | Display | |
Data in CIF | ![]() | 11.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5y0fC ![]() 5y0xC ![]() 5y12C ![]() 5y13C ![]() 4nnsS S: Starting model for refinement 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: 16911.268 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Chemical | ChemComp-8JL / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.93 Å3/Da / Density % sol: 36.38 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.5 / Details: 1.6 M sodium citrate, pH 6.5 / PH range: 6.0-7.0 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 2M / Detector: PIXEL / Date: May 28, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9775 Å / Relative weight: 1 |
Reflection | Resolution: 1.54→43.7 Å / Num. obs: 36585 / % possible obs: 98 % / Redundancy: 3.29 % / Net I/σ(I): 15.08 |
Reflection shell | Resolution: 1.54→1.58 Å / Redundancy: 2.54 % / Rmerge(I) obs: 0.34 / Mean I/σ(I) obs: 3.75 / Num. unique obs: 2467 / CC1/2: 0.899 / Rpim(I) all: 0.41 / % possible all: 89.8 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 4NNS Resolution: 1.542→43.697 Å / SU ML: 0.16 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 22.07
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.542→43.697 Å
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Refine LS restraints |
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LS refinement shell |
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