BMRB Entry 25845
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/BMR25845
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: CYSTEIN KNOT WITH 2FP 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, 37 residues, 4059.712 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: XGCILNGRTDLGTLLFRCRR
DSDCPGACICRGNGYCG
- 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 37 residues - 4059.712 Da.
| 1 | 4LT | GLY | CYS | ILE | LEU | ASN | GLY | ARG | THR | ASP | ||||
| 2 | LEU | GLY | THR | LEU | LEU | PHE | ARG | CYS | ARG | ARG | ||||
| 3 | ASP | SER | ASP | CYS | PRO | GLY | ALA | CYS | ILE | CYS | ||||
| 4 | ARG | GLY | ASN | GLY | TYR | CYS | GLY |
Samples:
KNOT_2FP: KNOT_2FP 2 mM; potassium phosphate 20 mM
KNOT_2FP_D2O: KNOT_2FP 2 mM; potassium phosphate 20 mM; D2O, [U-2H], 5.5 M
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_2FP | isotropic | KNOT |
| 2D 1H-1H TOCSY | KNOT_2FP | isotropic | KNOT |
| 2D 1H-1H NOESY | KNOT_2FP_D2O | isotropic | KNOT |
| 2D 1H-1H TOCSY | KNOT_2FP_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 |