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Yorodumi- PDB-2li0: Mono-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin gly... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2li0 | |||||||||
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Title | Mono-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat | |||||||||
Components | MUC2 Mucin Domain Peptide | |||||||||
Keywords | SUGAR BINDING PROTEIN / glycosylation / Tn antigen | |||||||||
Function / homology | 2-acetamido-2-deoxy-alpha-D-galactopyranose Function and homology information | |||||||||
Biological species | synthetic construct (others) | |||||||||
Method | SOLUTION NMR / torsion space simulated annealing | |||||||||
Model details | closest to the average, model 1 | |||||||||
Authors | Borgert, A. / Heimburg-Molinaro, J. / Lasanajak, Y. / Ju, T. / Liu, M. / Thompson, P. / Ragupathi, G. / Barany, G. / Cummings, R. / Smith, D. / Live, D. | |||||||||
Citation | Journal: Acs Chem.Biol. / Year: 2012 Title: Deciphering structural elements of mucin glycoprotein recognition. Authors: Borgert, A. / Heimburg-Molinaro, J. / Song, X. / Lasanajak, Y. / Ju, T. / Liu, M. / Thompson, P. / Ragupathi, G. / Barany, G. / Smith, D.F. / Cummings, R.D. / Live, D. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2li0.cif.gz | 159.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2li0.ent.gz | 114.3 KB | Display | PDB format |
PDBx/mmJSON format | 2li0.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/li/2li0 ftp://data.pdbj.org/pub/pdb/validation_reports/li/2li0 | HTTPS FTP |
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-Related structure data
Related structure data | 2lhvC 2lhwC 2lhxC 2lhyC 2lhzC 2li1C 2li2C C: citing same article (ref.) |
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Similar structure data | |
Other databases |
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 781.939 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: Synthesized via solid phase peptide synthesis / Source: (synth.) synthetic construct (others) |
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#2: Sugar | ChemComp-A2G / |
Compound details | THE MODIFIED SEQUENCE PTTTPLK FRAGMENT WAS CHOSEN BECAUSE IT WAS RELEVANT TO STRUCTURE/FUNCTION ...THE MODIFIED SEQUENCE PTTTPLK FRAGMENT WAS CHOSEN BECAUSE IT WAS RELEVANT TO STRUCTURE/FUNCTION ANALYSIS OF POST TRANSLATIO |
Sequence details | THE SEQUENCE PTTTP IS PART OF THE MUC2 MUCIN REPEAT POLYPEPTID |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details |
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Sample |
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Sample conditions | pH: 4.5 / Pressure: ambient / Temperature: 288 K |
-NMR measurement
NMR spectrometer |
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-Processing
NMR software |
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Refinement | Method: torsion space simulated annealing / Software ordinal: 1 | |||||||||
NMR representative | Selection criteria: closest to the average | |||||||||
NMR ensemble | Conformer selection criteria: structures with the least restraint violations Conformers calculated total number: 100 / Conformers submitted total number: 62 / Maximum distance constraint violation: 0.25 Å / Maximum torsion angle constraint violation: 5 ° |