BMRB Entry 25844
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25844
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Title: CYSTEIN KNOT WITH INTEGRIN AVB6 CANCER RECOGNITION SITE
Deposition date: 2015-10-10 Original release date: 2016-10-27
Authors: Filipp, Fabian; Tikole, Suhas
Citation: Filipp, Fabian; Tikole, Suhas. "Cystein knot with 2-FP label and integrin AvB6 cancer recognition site" Not known ., .-..
Assembly members:
entity, polymer, 36 residues, 3842.445 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):
entity: GCILNGRTDLGTLLFRCRRD
SDCPGACICRGNGYCG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 67 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 36 residues - 3842.445 Da.
| 1 | GLY | CYS | ILE | LEU | ASN | GLY | ARG | THR | ASP | LEU | ||||
| 2 | GLY | THR | LEU | LEU | PHE | ARG | CYS | ARG | ARG | ASP | ||||
| 3 | SER | ASP | CYS | PRO | GLY | ALA | CYS | ILE | CYS | ARG | ||||
| 4 | GLY | ASN | GLY | TYR | CYS | GLY |
Samples:
KNOT_sample: KNOT 2 mM; potassium phosphate 20 mM; H2O 90%; D2O 10%
KNOT_D2O: KNOT 2 mM; potassium phosphate 20 mM; D2O, [U-2H], 100%
KNOT: ionic strength: 20 mM; pH: 6.0; pressure: 1 atm; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | KNOT_sample | isotropic | KNOT |
| 2D 1H-1H TOCSY | KNOT_sample | isotropic | KNOT |
| 2D 1H-1H NOESY | KNOT_D2O | isotropic | KNOT |
| 2D 1H-1H TOCSY | KNOT_D2O | isotropic | KNOT |
Software:
NMRView v5.2.2, Johnson, One Moon Scientific - chemical shift assignment
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution
NMRPipe vX, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
TOPSPIN v3.2, Bruker Biospin - collection
NMR spectrometers:
- Bruker Avance 600 MHz
Related Database Links:
| PDB |