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- PDB-7tjb: Structure of Neisseria gonorrhoeae peptidoglycan O-acetyltransfer... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7tjb | |||||||||
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Title | Structure of Neisseria gonorrhoeae peptidoglycan O-acetyltransferase B (PatB) | |||||||||
![]() | 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 / 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 | ![]() | 127.1 KB | Display | ![]() |
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PDB format | ![]() | 81.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 435.5 KB | Display | ![]() |
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Full document | ![]() | 437.6 KB | Display | |
Data in XML | ![]() | 12.3 KB | Display | |
Data in CIF | ![]() | 17.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7tlvSC ![]() 7trrC 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: 25595.334 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-SO4 / |
#3: Water | ChemComp-HOH / |
Has ligand of interest | N |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.16 Å3/Da / Density % sol: 61.11 % |
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Crystal grow | Temperature: 296 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 PILATUS3 S 6M / Detector: PIXEL / Date: Dec 14, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97949 Å / Relative weight: 1 |
Reflection | Resolution: 1.19→41.83 Å / Num. obs: 78745 / % possible obs: 99.96 % / Redundancy: 10.5 % / Biso Wilson estimate: 16.932585492 Å2 / CC1/2: 0.999 / Net I/σ(I): 17.4 |
Reflection shell | Resolution: 1.19→1.22 Å / Mean I/σ(I) obs: 0.61 / Num. unique obs: 102048 / CC1/2: 0.203 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ID 7TLV Resolution: 1.30003477218→41.8290270028 Å / SU ML: 0.145565745133 / Cross valid method: THROUGHOUT / σ(F): 1.34638024946 / Phase error: 18.2376304099 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: 24.5363455938 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.30003477218→41.8290270028 Å
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Refine LS restraints |
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LS refinement shell |
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