BMRB Entry 16235
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16235
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Solution structure of linear kalata B1 (loop 6) PubMed: 19491108
Deposition date: 2009-04-01 Original release date: 2010-01-12
Authors: Wang, Conan
Citation: Huang, Yen-Hua; Colgrave, Michelle; Daly, Norelle; Keleshian, Asbed; Martinac, Boris; Craik, David. "The biological activity of the prototypic cyclotide kalata b1 is modulated by the formation of multimeric pores." J. Biol. Chem. 284, 20699-20707 (2009).
Assembly members:
loop 6, polymer, 29 residues, 2917.343 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
loop 6: GLPVCGETCVGGTCNTPGCT
CSWPVCTRN
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 166 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | loop 6 | 1 |
Entities:
Entity 1, loop 6 29 residues - 2917.343 Da.
| 1 | GLY | LEU | PRO | VAL | CYS | GLY | GLU | THR | CYS | VAL | ||||
| 2 | GLY | GLY | THR | CYS | ASN | THR | PRO | GLY | CYS | THR | ||||
| 3 | CYS | SER | TRP | PRO | VAL | CYS | THR | ARG | ASN |
Samples:
sample_1: entity 1 mM; H20 90%; D20 10%
sample_conditions_1: ionic strength: 0 M; pH: 5; pressure: 1.0 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution
NMR spectrometers:
- Bruker ARX 500 MHz