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Open data
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Basic information
Entry | Database: PDB / ID: 1bqb | ||||||
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Title | AUREOLYSIN, STAPHYLOCOCCUS AUREUS METALLOPROTEINASE | ||||||
![]() | PROTEIN (AUREOLYSIN) | ||||||
![]() | HYDROLASE / METALLOPROTEINASE | ||||||
Function / homology | ![]() aureolysin / metalloendopeptidase activity / proteolysis / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Medrano, F.J. / Banbula, A. / Potempa, J. / Travis, J. / Bode, W. | ||||||
![]() | ![]() Title: Amino-acid sequence and three-dimensional structure of the Staphylococcus aureus metalloproteinase at 1.72 A resolution. Authors: Banbula, A. / Potempa, J. / Travis, J. / Fernandez-Catalan, C. / Mann, K. / Huber, R. / Bode, W. / Medrano, F. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 75.2 KB | Display | ![]() |
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PDB format | ![]() | 54.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 366.7 KB | Display | ![]() |
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Full document | ![]() | 367.2 KB | Display | |
Data in XML | ![]() | 7.3 KB | Display | |
Data in CIF | ![]() | 11.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1lnfS 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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Unit cell |
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Components
#1: Protein | Mass: 33358.789 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ![]() ![]() | ||
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#2: Chemical | ChemComp-ZN / | ||
#3: Chemical | #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.01 Å3/Da / Density % sol: 38.79 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 5.2 / Details: 0.1 M SODIUM ACETATE PH 5.2 AND 40% PEG 4000 | ||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 20 ℃ / pH: 7.6 / Method: vapor diffusion, sitting drop | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 284 K |
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Diffraction source | Source: ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE |
Radiation | Monochromator: GRAPHITE FILTER / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.72→15 Å / Num. obs: 27738 / % possible obs: 93.8 % / Observed criterion σ(I): 2 / Redundancy: 4.3 % / Rmerge(I) obs: 0.091 / Net I/σ(I): 5.6 |
Reflection shell | Resolution: 1.72→1.78 Å / % possible all: 86.4 |
Reflection | *PLUS Num. measured all: 120813 |
Reflection shell | *PLUS % possible obs: 86.4 % |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1LNF Resolution: 1.72→8 Å / Data cutoff high absF: 1000000 / Data cutoff low absF: 0.001 / Cross valid method: THROUGHOUT / σ(F): 2
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Refinement step | Cycle: LAST / Resolution: 1.72→8 Å
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Refine LS restraints |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 8 Å / σ(F): 2 / % reflection Rfree: 10 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS Type: x_angle_deg / Dev ideal: 1.38 |