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- PDB-7trr: Structure of Neisseria gonorrhoeae peptidoglycan O-acetyltransfer... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7trr | |||||||||
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Title | Structure of Neisseria gonorrhoeae peptidoglycan O-acetyltransferase B (PatB) with methylsulfonyl adduct | |||||||||
![]() | Peptidoglycan O-acetyltransferase B | |||||||||
![]() | TRANSFERASE / Peptidoglycan / O-acetyltransferase / Neisseria / gonorrhoeae | |||||||||
Function / homology | Protein of unknown function DUF459 / Protein of unknown function (DUF459) / SGNH hydrolase superfamily / hydrolase activity, acting on ester bonds / methanesulfonic acid / Periplasmic protein![]() | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Brott, A.S. / Stangherlin, S. / Clarke, A.J. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Structure of Neisseria gonorrhoeae peptidoglycan O-acetyltransferase B (PatB) Authors: Brott, A.S. / Stangherlin, S. / Clarke, A.J. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 73.5 KB | Display | ![]() |
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PDB format | ![]() | 42.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 710.6 KB | Display | ![]() |
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Full document | ![]() | 711 KB | Display | |
Data in XML | ![]() | 11.4 KB | Display | |
Data in CIF | ![]() | 15.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7tjbC ![]() 7tlvSC S: Starting model for refinement C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 25437.178 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Strain: ATCC 700825 / FA 1090 / Gene: NGO_0533 / Production host: ![]() ![]() |
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#2: Chemical | ChemComp-03S / |
#3: Water | ChemComp-HOH / |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.15 Å3/Da / Density % sol: 60.92 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop Details: 2.08 M ammonium sulfate in 0.1 M phosphate-citrate buffer |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: May 28, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97828 Å / Relative weight: 1 |
Reflection | Resolution: 1.41997→72.85 Å / Num. obs: 58729 / % possible obs: 100 % / Redundancy: 32 % / Biso Wilson estimate: 22.70018156 Å2 / CC1/2: 0.996 / Net I/σ(I): 2.8 |
Reflection shell | Resolution: 1.43→1.47 Å / Num. unique obs: 4786 / CC1/2: 0.44 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 7TLV Resolution: 1.8000158121→49.1500006166 Å / SU ML: 0.210577724527 / Cross valid method: THROUGHOUT / σ(F): 1.36300540135 / Phase error: 23.437185808 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 26.2026547367 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.8000158121→49.1500006166 Å
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Refine LS restraints |
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LS refinement shell |
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