+Open data
-Basic information
Entry | Database: PDB / ID: 9ceq | ||||||
---|---|---|---|---|---|---|---|
Title | Lanthanide Binding Tag complex LBT3-NH2:La3+ | ||||||
Components | Lanthanide Binding Tag Peptide | ||||||
Keywords | DE NOVO PROTEIN / Rare earth complex / calmodulin derivative | ||||||
Function / homology | LANTHANUM (III) ION Function and homology information | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Authors | Kt, S. / Messinger, R.J. / Favaro, D.C. | ||||||
Funding support | United States, 1items
| ||||||
Citation | Journal: To Be Published Title: Role of Water in the Selective Complexation of Rare Earth Elements by Lanthanide Binding Tag Peptides Authors: Kt, S. / Favaro, D.C. / Messinger, R.J. | ||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 9ceq.cif.gz | 94.4 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb9ceq.ent.gz | 65.9 KB | Display | PDB format |
PDBx/mmJSON format | 9ceq.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 9ceq_validation.pdf.gz | 522.8 KB | Display | wwPDB validaton report |
---|---|---|---|---|
Full document | 9ceq_full_validation.pdf.gz | 669.7 KB | Display | |
Data in XML | 9ceq_validation.xml.gz | 16.3 KB | Display | |
Data in CIF | 9ceq_validation.cif.gz | 22.7 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ce/9ceq ftp://data.pdbj.org/pub/pdb/validation_reports/ce/9ceq | HTTPS FTP |
-Related structure data
Similar structure data | Similarity search - Function & homologyF&H Search |
---|---|
Other databases |
|
-Links
-Assembly
Deposited unit |
| |||||||||
---|---|---|---|---|---|---|---|---|---|---|
1 |
| |||||||||
NMR ensembles |
|
-Components
#1: Protein/peptide | Mass: 1920.020 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human) |
---|---|
#2: Chemical | ChemComp-LA / |
Has ligand of interest | Y |
Has protein modification | Y |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NMR experiment |
|
-Sample preparation
Details | Type: solution Contents: 300 uM LBT3, 600 uM LANTHANUM (III) ION, 50 mM D13 MES, 100 mM sodium chloride, 90% H2O/10% D2O Details: 300uM LBT3 with 600uM La3+ cations in 50mM MES-D13 buffer, 100mM NaCl, pH 6 Label: LBT3:La sample / Solvent system: 90% H2O/10% D2O | ||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sample |
| ||||||||||||||||||||
Sample conditions | Ionic strength: 100 mM / Label: conditions_1 / pH: 6 / Pressure: 1 atm / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE III HD / Manufacturer: Bruker / Model: AVANCE III HD / Field strength: 800 MHz |
---|
-Processing
NMR software |
| ||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method: simulated annealing / Software ordinal: 5 | ||||||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: target function / Conformers calculated total number: 100 / Conformers submitted total number: 20 |