+Open data
-Basic information
Entry | Database: PDB / ID: 2hlu | ||||||
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Title | Solution Structure of Bacillus subtilis Acylphosphatase | ||||||
Components | Probable acylphosphatase | ||||||
Keywords | HYDROLASE / alpha/beta sandwich | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Bacillus subtilis (bacteria) | ||||||
Method | SOLUTION NMR / distance geometry, simulated annealing | ||||||
Authors | Xia, B. / Hu, J.C. | ||||||
Citation | Journal: To be Published Title: Solution Structure of Bacillus subtilis Acylphosphatase in free and bound states Authors: Xia, B. / Hu, J.C. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2hlu.cif.gz | 560.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2hlu.ent.gz | 490.3 KB | Display | PDB format |
PDBx/mmJSON format | 2hlu.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/hl/2hlu ftp://data.pdbj.org/pub/pdb/validation_reports/hl/2hlu | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein | Mass: 10332.688 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacillus subtilis (bacteria) / Plasmid: pET-21a / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21 (DE3) / References: UniProt: O35031, acylphosphatase |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||
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NMR experiment |
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-Sample preparation
Details | Contents: 0.5mM BsAcP, U-15N,13C; 50mM Tris-HAc buffer; 0.03% (w/v) NaN3; 50mM 2-oxopropylphophonate; 90% H2O, 10% D2O Solvent system: 90% H2O/10% D2O |
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Sample conditions | Ionic strength: 100mM / pH: 7.0 / Pressure: 1 atm / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE / Manufacturer: Bruker / Model: AVANCE / Field strength: 600 MHz |
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-Processing
NMR software |
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Refinement | Method: distance geometry, simulated annealing / Software ordinal: 1 | ||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 20 |