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- PDB-6mhm: Crystal structure of human acid ceramidase in covalent complex wi... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6mhm | |||||||||
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Title | Crystal structure of human acid ceramidase in covalent complex with carmofur | |||||||||
![]() | (Acid ceramidase subunit ...) x 2 | |||||||||
![]() | HYDROLASE / acid ceramidase / acid ceramidase inhibitors / benzoxazolone carboxamides / carmofur | |||||||||
Function / homology | ![]() regulation of programmed necrotic cell death / : / Glycosphingolipid metabolism / ceramidase / N-acylsphingosine amidohydrolase activity / : / ceramide catabolic process / fatty acid amide hydrolase activity / regulation of steroid biosynthetic process / hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides ...regulation of programmed necrotic cell death / : / Glycosphingolipid metabolism / ceramidase / N-acylsphingosine amidohydrolase activity / : / ceramide catabolic process / fatty acid amide hydrolase activity / regulation of steroid biosynthetic process / hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides / sphingosine biosynthetic process / hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds / ceramide biosynthetic process / Hydrolases; Acting on carbon-nitrogen bonds, other than peptide bonds; In linear amides / keratinocyte differentiation / fatty acid metabolic process / lysosomal lumen / nuclear receptor binding / transcription corepressor activity / tertiary granule lumen / cellular response to tumor necrosis factor / ficolin-1-rich granule lumen / lysosome / Neutrophil degranulation / extracellular space / extracellular exosome / extracellular region / nucleus Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Dementiev, A. / Joachimiak, A. / Doan, N. | |||||||||
![]() | ![]() Title: Molecular Mechanism of Inhibition of Acid Ceramidase by Carmofur. Authors: Dementiev, A. / Joachimiak, A. / Nguyen, H. / Gorelik, A. / Illes, K. / Shabani, S. / Gelsomino, M. / Ahn, E.E. / Nagar, B. / Doan, N. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 168.7 KB | Display | ![]() |
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PDB format | ![]() | 131.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 5u7zS S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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Unit cell |
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Components
-Acid ceramidase subunit ... , 2 types, 4 molecules ACBD
#1: Protein | Mass: 15079.450 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() #2: Protein | Mass: 28993.139 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() |
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-Sugars , 3 types, 7 molecules ![](data/chem/img/NAG.gif)
#3: Polysaccharide | #4: Polysaccharide | #6: Sugar | |
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-Non-polymers , 3 types, 94 molecules ![](data/chem/img/SO4.gif)
![](data/chem/img/JRY.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/JRY.gif)
![](data/chem/img/HOH.gif)
#5: Chemical | ChemComp-SO4 / #7: Chemical | #8: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.66 Å3/Da / Density % sol: 53.71 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 4.3 Details: 0.2 M sodium-phosphate-citrate, pH 4.3, 0.275 M lithium sulfate, and 18% polyethylene glycol 1000 |
-Data collection
Diffraction | Mean temperature: 100 K | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: ![]() ![]() ![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Jul 31, 2018 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 0.9793 Å / Relative weight: 1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 2.74→50 Å / Num. obs: 23259 / % possible obs: 100 % / Redundancy: 4.9 % / Biso Wilson estimate: 53.81 Å2 / Rmerge(I) obs: 0.111 / Rpim(I) all: 0.055 / Rrim(I) all: 0.124 / Χ2: 1.687 / Net I/σ(I): 7.6 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5U7Z Resolution: 2.743→48.647 Å / SU ML: 0.4 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 27.95
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 113.8 Å2 / Biso mean: 51.0869 Å2 / Biso min: 20.61 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.743→48.647 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 10
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