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Open data
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Basic information
Entry | Database: PDB / ID: 2mpr | |||||||||
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Title | MALTOPORIN FROM SALMONELLA TYPHIMURIUM | |||||||||
![]() | MALTOPORIN | |||||||||
![]() | OUTER MEMBRANE PROTEIN / OLIGOSACCHARIDE BINDING / SUGAR TRANSPORT / PHAGE RECOGNITION | |||||||||
Function / homology | ![]() maltodextrin transmembrane transporter activity / maltose transporting porin activity / polysaccharide transport / porin activity / pore complex / carbohydrate transmembrane transporter activity / monoatomic ion transport / cell outer membrane Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() | |||||||||
![]() | Meyer, J.E.W. / Schulz, G.E. | |||||||||
![]() | ![]() Title: Structure of maltoporin from Salmonella typhimurium ligated with a nitrophenyl-maltotrioside. Authors: Meyer, J.E. / Hofnung, M. / Schulz, G.E. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 266.5 KB | Display | ![]() |
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PDB format | ![]() | 218.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.4 MB | Display | ![]() |
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Full document | ![]() | 1.4 MB | Display | |
Data in XML | ![]() | 50.3 KB | Display | |
Data in CIF | ![]() | 72.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1mprSC S: Starting model for refinement C: citing same article ( |
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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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Noncrystallographic symmetry (NCS) | NCS oper:
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Components
#1: Protein | Mass: 48064.535 Da / Num. of mol.: 3 / Fragment: MATURE PROTEIN, SIGNAL SEQUENCE CLEAVED OFF / Source method: isolated from a natural source / Source: (natural) ![]() #2: Polysaccharide | #3: Chemical | ChemComp-CA / | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.3 Å3/Da / Density % sol: 71 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Method: vapor diffusion, hanging drop Details: MALTOPORIN WAS CRYSTALLIZED BY HANGING-DROP METHOD. DROP: 5-8 MG/ML PROTEIN, 0.3% C8E4, 0.8% C6DAO, 1 MM CACL2, 1MM MGCL2, 14-18% PEG 1500, 0.02% NAN3 RESERVOIR: 28-32% PEG 1500, vapor diffusion - hanging drop | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 18 ℃ / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 298 K |
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Diffraction source | Source: ![]() |
Detector | Type: SIEMENS-NICOLET X100 / Detector: AREA DETECTOR / Date: Sep 4, 1995 |
Radiation | Monochromator: GRAPHITE(002) / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.4→25 Å / Num. obs: 90607 / Redundancy: 3.1 % / Biso Wilson estimate: 36 Å2 / Rmerge(I) obs: 0.07 / Net I/σ(I): 12 |
Reflection shell | Resolution: 2.4→2.48 Å / Redundancy: 1.4 % / Mean I/σ(I) obs: 4.3 / Rsym value: 0.167 / % possible all: 62.4 |
Reflection | *PLUS % possible obs: 88 % / Num. measured all: 278202 |
Reflection shell | *PLUS % possible obs: 62 % / Rmerge(I) obs: 0.35 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1MPR Resolution: 2.4→10 Å / Rfactor Rfree error: 0.0034 / Data cutoff high absF: 10000000 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED Cross valid method: THROUGHOUT, EXCEPT FOR VERY LAST ROUND (REFINEMENT AGAINST ALL REFLECTIONS) σ(F): 0 Details: THE ENTRY PRESENTS THE REFINED STRUCTURE CONTAINING 1 MALTOTRIOSE PER MONOMER. ALL SIDE CHAIN ATOMS WITHOUT DENSITY WERE ASSIGNED ZERO OCCUPANCY. B-VALUES OF WILSON PLOT WAS CALCULATED WITH ...Details: THE ENTRY PRESENTS THE REFINED STRUCTURE CONTAINING 1 MALTOTRIOSE PER MONOMER. ALL SIDE CHAIN ATOMS WITHOUT DENSITY WERE ASSIGNED ZERO OCCUPANCY. B-VALUES OF WILSON PLOT WAS CALCULATED WITH THE CCP4 PROGRAM WILSON.
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Displacement parameters | Biso mean: 26.7 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze | Luzzati d res low obs: 3.53 Å / Luzzati sigma a obs: 0.38 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.4→10 Å
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Refine LS restraints |
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Refine LS restraints NCS | NCS model details: RESTRAINTS / Rms dev Biso : 1.7 Å2 / Rms dev position: 0.2 Å / Weight Biso : 0.2 / Weight position: 100 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | Resolution: 2.4→2.48 Å / Rfactor Rfree error: 0.017 / Total num. of bins used: 10
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Xplor file |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS Biso mean: 27 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor obs: 0.271 |