BMRB Entry 7232
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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/BMR7232
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Title: Trans-(4-aminomethyl)phenylazobenzoic acid-aPP bound to DPC micelles PubMed: 16933352
Deposition date: 2006-07-14 Original release date: 2006-10-19
Authors: Jurt, S.; Aemissegger, A.; Guentert, P.; Zerbe, O.; Hilvert, D.
Citation: Jurt, S.; Aemissegger, A.; Guentert, P.; Zerbe, O.; Hilvert, D.. "A Photoswitchable Miniprotein based on the Sequence of Avian Pancreatic Polypeptide" Angew Chem. Int. Ed. Engl. 45, 6297-6300 (2006).
Assembly members:
Pancreatic hormone, 1, polymer, 9 residues, Formula weight is not available
Pancreatic hormone, 2, polymer, 25 residues, Formula weight is not available
EAB, non-polymer, 269.299 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):
Pancreatic hormone, 1: GPSQPTYPG
Pancreatic hormone, 2: PVEDLIRFYNDLQQYLNVVT
RHRYX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 251 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Pancreatic hormone, 1 | 1 |
| 2 | Pancreatic hormone, 2 | 2 |
| 3 | (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | 3 |
Entities:
Entity 1, Pancreatic hormone, 1 9 residues - Formula weight is not available
| 1 | GLY | PRO | SER | GLN | PRO | THR | TYR | PRO | GLY |
Entity 2, Pancreatic hormone, 2 25 residues - Formula weight is not available
| 1 | PRO | VAL | GLU | ASP | LEU | ILE | ARG | PHE | TYR | ASN | ||||
| 2 | ASP | LEU | GLN | GLN | TYR | LEU | ASN | VAL | VAL | THR | ||||
| 3 | ARG | HIS | ARG | TYR | NH2 |
Entity 3, (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID - C15 H15 N3 O2 - 269.299 Da.
| 1 | EAB |
Samples:
sample_1: Pancreatic hormone, 1 2 mM; Pancreatic hormone, 2 2 mM; (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID 2 mM; DPC 300 mM; MES buffer 50 mM; H2O 90%; D2O 10%
sample_cond_1: ionic strength: 50.0 mM; pH: 6.0; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NOESY | sample_1 | not available | sample_cond_1 |
| 2D TOCSY | sample_1 | not available | sample_cond_1 |
Software:
CYANA v2.2.2 - refinement, structure solution
NMR spectrometers:
- Bruker AVANCE 700 MHz