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Yorodumi- PDB-1cjw: SEROTONIN N-ACETYLTRANSFERASE COMPLEXED WITH A BISUBSTRATE ANALOG -
+Open data
-Basic information
Entry | Database: PDB / ID: 1cjw | ||||||
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Title | SEROTONIN N-ACETYLTRANSFERASE COMPLEXED WITH A BISUBSTRATE ANALOG | ||||||
Components | PROTEIN (SEROTONIN N-ACETYLTRANSFERASE) | ||||||
Keywords | TRANSFERASE / N-ACETYL TRANSFERASE | ||||||
Function / homology | Function and homology information aralkylamine N-acetyltransferase / aralkylamine N-acetyltransferase activity / melatonin biosynthetic process / N-terminal protein amino acid acetylation / response to light stimulus / cellular response to cAMP / circadian rhythm / perinuclear region of cytoplasm Similarity search - Function | ||||||
Biological species | Ovis aries (sheep) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 1.8 Å | ||||||
Authors | Hickman, A.B. / Namboodiri, M.A.A. / Klein, D.C. / Dyda, F. | ||||||
Citation | Journal: Cell(Cambridge,Mass.) / Year: 1999 Title: The structural basis of ordered substrate binding by serotonin N-acetyltransferase: enzyme complex at 1.8 A resolution with a bisubstrate analog. Authors: Hickman, A.B. / Namboodiri, M.A. / Klein, D.C. / Dyda, F. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1cjw.cif.gz | 55 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1cjw.ent.gz | 37.4 KB | Display | PDB format |
PDBx/mmJSON format | 1cjw.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1cjw_validation.pdf.gz | 448.9 KB | Display | wwPDB validaton report |
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Full document | 1cjw_full_validation.pdf.gz | 449 KB | Display | |
Data in XML | 1cjw_validation.xml.gz | 5 KB | Display | |
Data in CIF | 1cjw_validation.cif.gz | 8.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/cj/1cjw ftp://data.pdbj.org/pub/pdb/validation_reports/cj/1cjw | HTTPS FTP |
-Related structure data
Related structure data | 1b6bS 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: 18634.381 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Ovis aries (sheep) / Production host: Escherichia coli (E. coli) / References: UniProt: Q29495 |
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#2: Chemical | ChemComp-COT / |
#3: 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: 2.21 Å3/Da / Density % sol: 44.28 % | ||||||||||||||||||||
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Crystal grow | pH: 6.5 / Details: pH 6.5 | ||||||||||||||||||||
Crystal | *PLUS Density % sol: 34.9 % | ||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ / Method: vapor diffusion, hanging drop | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RUH3R / Wavelength: 1.5418 |
Detector | Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Dec 1, 1998 / Details: MIRRORS |
Radiation | Monochromator: NI FILTER / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→30 Å / Num. obs: 15197 / % possible obs: 97 % / Observed criterion σ(I): 0 / Redundancy: 6.3 % / Rsym value: 0.041 / Net I/σ(I): 18 |
Reflection shell | Resolution: 1.8→1.85 Å / Redundancy: 3.5 % / Mean I/σ(I) obs: 11 / Rsym value: 0.121 / % possible all: 97 |
Reflection | *PLUS Num. measured all: 96003 / Rmerge(I) obs: 0.041 |
Reflection shell | *PLUS % possible obs: 97.4 % / Rmerge(I) obs: 0.121 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1B6B Resolution: 1.8→30 Å / Rfactor Rfree error: 0.008 / Cross valid method: THROUGHOUT / σ(F): 2
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Refinement step | Cycle: LAST / Resolution: 1.8→30 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.8→1.88 Å / Rfactor Rfree error: 0.034 / Total num. of bins used: 8
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Xplor file | Serial no: 1 / Param file: PARHCSDX.PRO / Topol file: TOPHCSDX.PRO | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Software | *PLUS Name: X-PLOR / Version: 3.1 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.181 / Rfactor Rfree: 0.231 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |