+Open data
-Basic information
Entry | Database: PDB / ID: 3rya | ||||||
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Title | Lactococcal OppA complexed with SLSQLSSQS | ||||||
Components |
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Keywords | PEPTIDE BINDING PROTEIN / Substrate-binding protein / Peptide binding / Membrane anchored | ||||||
Function / homology | Function and homology information peptide transport / ATP-binding cassette (ABC) transporter complex / transmembrane transport / protein transport / periplasmic space Similarity search - Function | ||||||
Biological species | Lactococcus lactis (lactic acid bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.9 Å | ||||||
Authors | Berntsson, R.P.-A. / Thunnissen, A.-M.W.H. / Poolman, B. / Slotboom, D.-J. | ||||||
Citation | Journal: J.Bacteriol. / Year: 2011 Title: Importance of a Hydrophobic Pocket for Peptide Binding in Lactococcal OppA. Authors: Berntsson, R.P. / Thunnissen, A.M. / Poolman, B. / Slotboom, D.J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3rya.cif.gz | 221.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3rya.ent.gz | 179.4 KB | Display | PDB format |
PDBx/mmJSON format | 3rya.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ry/3rya ftp://data.pdbj.org/pub/pdb/validation_reports/ry/3rya | HTTPS FTP |
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-Related structure data
Related structure data | 3rybC 3drfS C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 65144.773 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Lactococcus lactis (lactic acid bacteria) Strain: MG1363 / Gene: oppA, llmg_0701 / Production host: Lactococcus lactis (lactic acid bacteria) / Strain (production host): MG1363 / References: UniProt: A2RJ53 |
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#2: Protein/peptide | Mass: 935.977 Da / Num. of mol.: 1 / Source method: obtained synthetically |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 1.94 Å3/Da / Density % sol: 36.69 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7 Details: 0.2M NACL, 0.1M NA-HEPES, 20% PEG 6000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 70 K | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: SLS / Beamline: X06DA / Wavelength: 1 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Feb 11, 2011 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 2.9→38.41 Å / Num. all: 11913 / Num. obs: 11804 / % possible obs: 98.3 % / Observed criterion σ(I): 2 / Rmerge(I) obs: 0.211 / Rsym value: 0.237 / Net I/σ(I): 8.2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1
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-Phasing
Phasing | Method: molecular replacement | |||||||||
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Phasing MR | Rfactor: 49.11 / Model details: Phaser MODE: MR_AUTO
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB entry 3DRF, chain A Resolution: 2.9→38.4 Å / Cor.coef. Fo:Fc: 0.877 / Cor.coef. Fo:Fc free: 0.843 / WRfactor Rfree: 0.2302 / WRfactor Rwork: 0.203 / Occupancy max: 1 / Occupancy min: 0.06 / FOM work R set: 0.8628 / SU B: 39.125 / SU ML: 0.348 / SU R Cruickshank DPI: 0.4413 / SU Rfree: 0.4805 / Cross valid method: THROUGHOUT / σ(F): 2 / ESU R Free: 0.48 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES WITH TLS ADDED.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 86.93 Å2 / Biso mean: 29.6917 Å2 / Biso min: 8.18 Å2
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Refinement step | Cycle: LAST / Resolution: 2.9→38.4 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.9→2.978 Å / Total num. of bins used: 20
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Refinement TLS params. | Method: refined / Origin x: 9.6937 Å / Origin y: 0.086 Å / Origin z: 18.6584 Å
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