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- PDB-7mhw: Crystal structure of the protease inhibitor U-Omp19 from Brucella... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7mhw | |||||||||||||||
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Title | Crystal structure of the protease inhibitor U-Omp19 from Brucella abortus fused to Maltose-binding protein | |||||||||||||||
![]() | Maltose/maltodextrin-binding periplasmic protein,Outer membrane lipoprotein omp19 | |||||||||||||||
![]() | MEMBRANE PROTEIN / Protease inhibitor / MBP-fusion protein | |||||||||||||||
Function / homology | ![]() endopeptidase inhibitor activity / detection of maltose stimulus / maltose transport complex / carbohydrate transport / carbohydrate transmembrane transporter activity / maltose binding / maltose transport / maltodextrin transmembrane transport / ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing / ATP-binding cassette (ABC) transporter complex ...endopeptidase inhibitor activity / detection of maltose stimulus / maltose transport complex / carbohydrate transport / carbohydrate transmembrane transporter activity / maltose binding / maltose transport / maltodextrin transmembrane transport / ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing / ATP-binding cassette (ABC) transporter complex / cell chemotaxis / cell outer membrane / outer membrane-bounded periplasmic space / periplasmic space / DNA damage response / membrane Similarity search - Function | |||||||||||||||
Biological species | ![]() ![]() ![]() | |||||||||||||||
Method | ![]() ![]() ![]() | |||||||||||||||
![]() | Darriba, M.L. / Klinke, S. / Otero, L.H. / Cerutti, M.L. / Cassataro, J. / Pasquevich, K.A. | |||||||||||||||
Funding support | ![]() ![]()
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![]() | ![]() Title: A disordered region retains the full protease inhibitor activity and the capacity to induce CD8 + T cells in vivo of the oral vaccine adjuvant U-Omp19. Authors: Laura Darriba, M. / Castro, C.P. / Coria, L.M. / Bruno, L. / Laura Cerutti, M. / Otero, L.H. / Chemes, L.B. / Rasia, R.M. / Klinke, S. / Cassataro, J. / Pasquevich, K.A. | |||||||||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 127.5 KB | Display | ![]() |
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PDB format | ![]() | 78.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1llsS S: Starting model for refinement |
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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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1 |
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 51734.242 Da / Num. of mol.: 1 / Mutation: D(-233)A,K(-232)A,K(-76)A,E44A,K47A,D48A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() Gene: malE, b4034, JW3994, omp19, BAB1_1930 / Plasmid: pMAL-c2 / Strain: 2308 Details (production host): Maltose-binding protein fusion, cytoplasmic expression Production host: ![]() ![]() | ||||||
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#2: Chemical | ChemComp-SO4 / #3: Water | ChemComp-HOH / | Has ligand of interest | Y | Sequence details | All six substitutions are in the MBP. No mutations are in the OMP19 portion of the construct. | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.21 Å3/Da / Density % sol: 62 % / Description: Bipyramids |
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Crystal grow | Temperature: 294 K / Method: vapor diffusion, sitting drop / pH: 7 / Details: 2.4 M ammonium sulfate, 0.1 M sodium citrate |
-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: Feb 18, 2018 / Details: KIRKPATRICK-BAEZ PAIR OF BIMORPH MIRRORS |
Radiation | Monochromator: CHANNEL CUT CRYOGENICALLY COOLED CRYSTAL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9763 Å / Relative weight: 1 |
Reflection | Resolution: 2.55→48.33 Å / Num. obs: 22227 / % possible obs: 100 % / Redundancy: 12.9 % / Biso Wilson estimate: 67.24 Å2 / CC1/2: 0.999 / Rpim(I) all: 0.03 / Rrim(I) all: 0.108 / Net I/σ(I): 16.2 |
Reflection shell | Resolution: 2.55→2.66 Å / Redundancy: 11.1 % / Mean I/σ(I) obs: 1.3 / Num. unique obs: 2675 / CC1/2: 0.55 / Rpim(I) all: 0.575 / Rrim(I) all: 1.928 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1LLS Resolution: 2.55→48.33 Å / SU ML: 0.3624 / Cross valid method: FREE R-VALUE / σ(F): 0.13 / Phase error: 27.4339 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: 67.76 Å2 | ||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.55→48.33 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.55→2.61 Å
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