+Open data
-Basic information
Entry | Database: PDB / ID: 1jui | ||||||
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Title | CONCANAVALIN A-CARBOHYDRATE MIMICKING 10-MER PEPTIDE COMPLEX | ||||||
Components |
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Keywords | SUGAR BINDING PROTEIN / LECTIN | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Canavalia ensiformis (jack bean) synthetic construct (others) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.75 Å | ||||||
Authors | Jain, D. / Kaur, K.J. / Salunke, D.M. | ||||||
Citation | Journal: Biophys.J. / Year: 2001 Title: Plasticity in protein-peptide recognition: crystal structures of two different peptides bound to concanavalin A. Authors: Jain, D. / Kaur, K.J. / Salunke, D.M. #1: Journal: J.Biol.Chem. / Year: 2000 Title: Structural and Functional Consequences of Peptide-carbohydrate Mimicry. Crystal Structure of a Carbohydrate-mimicking Peptide Bound to Concanavalin A. Authors: Jain, D. / Kaur, K.J. / Sundaravadivel, B. / Salunke, D.M. #2: Journal: Biochem.Biophys.Res.Commun. / Year: 2000 Title: Structural Basis of Functional Mimicry Between Carbohydrate and Peptide Ligands of ConA Authors: Jain, D. / Kaur, K.J. / Goel, M. / Salunke, D.M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1jui.cif.gz | 189.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1jui.ent.gz | 153.3 KB | Display | PDB format |
PDBx/mmJSON format | 1jui.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ju/1jui ftp://data.pdbj.org/pub/pdb/validation_reports/ju/1jui | HTTPS FTP |
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-Related structure data
Related structure data | 1jycC 5cnaS 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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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 25622.385 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Source: (natural) Canavalia ensiformis (jack bean) / References: UniProt: P55915 #2: Protein/peptide | Mass: 1224.342 Da / Num. of mol.: 4 / Source method: obtained synthetically / Details: The peptide was chemically synthesized. / Source: (synth.) synthetic construct (others) #3: Chemical | ChemComp-MN / #4: Chemical | ChemComp-CA / #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 3.6 Å3/Da / Density % sol: 65.79 % |
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-Data collection
Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RU200 / Wavelength: 1.54178 |
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Detector | Type: MARRESEARCH / Detector: IMAGE PLATE |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54178 Å / Relative weight: 1 |
Reflection | Highest resolution: 2.75 Å / % possible obs: 85.5 % / Rmerge(I) obs: 0.6 / Net I/σ(I): 12.7 |
Reflection | *PLUS Num. obs: 33187 / Redundancy: 2 % / Rmerge(I) obs: 0.06 |
Reflection shell | *PLUS Highest resolution: 2.75 Å / Lowest resolution: 2.88 Å / % possible obs: 37 % |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 5CNA Resolution: 2.75→10 Å / σ(F): 0 /
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Refinement step | Cycle: LAST / Resolution: 2.75→10 Å
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Refinement | *PLUS Rfactor Rfree: 0.222 / Rfactor Rwork: 0.188 | |||||||||||||||
Solvent computation | *PLUS | |||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||
Refine LS restraints | *PLUS
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