BMRB Entry 5609
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5609
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Title: NMR structure of [Ala1,15]kalata B1 PubMed: 12482862
Deposition date: 2002-12-02 Original release date: 2003-08-01
Authors: Daly, N.; Clark, R.; Craik, D.
Citation: Daly, N.; Clark, R.; Craik, D.. "Disulfide Folding Pathways of Cystine Knot Proteins: Tying the Knot within the Circular Backbone of the Cyclotides" J. Biol. Chem. 278, 6314-6322 (2003).
Assembly members:
KALATA, polymer, 29 residues, Formula weight is not available
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):
KALATA: AGETCVGGTCNTPGATCSWP
VCTRNGLPV
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 152 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | kalata B1 | 1 |
Entities:
Entity 1, kalata B1 29 residues - Formula weight is not available
| 1 | ALA | GLY | GLU | THR | CYS | VAL | GLY | GLY | THR | CYS | ||||
| 2 | ASN | THR | PRO | GLY | ALA | THR | CYS | SER | TRP | PRO | ||||
| 3 | VAL | CYS | THR | ARG | ASN | GLY | LEU | PRO | VAL |
Samples:
sample_1: KALATA 1 mM; H2O 90%; D2O 10%
sample_cond_1: pH: 3.8; pressure: 1 atm; temperature: 290 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | not available | not available | not available |
| DQF-COSY | not available | not available | not available |
| E-COSY | not available | not available | not available |
Software:
xwinnmr v2.6 - collection
CNS v1.0 - structure solution
NMR spectrometers:
- Bruker DMX 750 MHz
Related Database Links:
| PDB |