BMRB Entry 31020
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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/BMR31020
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: GFP Nanobody NMR Structure PubMed: 35628231
Deposition date: 2022-05-11 Original release date: 2022-06-03
Authors: Mueller, G.
Citation: Fernandez-Quintero, M.; DeRose, E.; Gabel, S.; Mueller, G.; Liedl, K.. "Nanobody Paratope Ensembles in Solution Characterized by MD Simulations and NMR." Int. J. Mol. Sci. 23, 5419-5419 (2022).
Assembly members:
entity_1, polymer, 123 residues, 13759.219 Da.
Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: synthetic construct
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: MAQVQLVESGGALVQPGGSL
RLSCAASGFPVNRYSMRWYR
QAPGKEREWVAGMSSAGDRS
SYEDSVKGRFTISRDDARNT
VYLQMNSLKPEDTAVYYCNV
NVGFEYWGQGTQVTVSSHHH
HHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 324 |
| 15N chemical shifts | 110 |
| 1H chemical shifts | 605 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 123 residues - 13759.219 Da.
| 1 | MET | ALA | GLN | VAL | GLN | LEU | VAL | GLU | SER | GLY | ||||
| 2 | GLY | ALA | LEU | VAL | GLN | PRO | GLY | GLY | SER | LEU | ||||
| 3 | ARG | LEU | SER | CYS | ALA | ALA | SER | GLY | PHE | PRO | ||||
| 4 | VAL | ASN | ARG | TYR | SER | MET | ARG | TRP | TYR | ARG | ||||
| 5 | GLN | ALA | PRO | GLY | LYS | GLU | ARG | GLU | TRP | VAL | ||||
| 6 | ALA | GLY | MET | SER | SER | ALA | GLY | ASP | ARG | SER | ||||
| 7 | SER | TYR | GLU | ASP | SER | VAL | LYS | GLY | ARG | PHE | ||||
| 8 | THR | ILE | SER | ARG | ASP | ASP | ALA | ARG | ASN | THR | ||||
| 9 | VAL | TYR | LEU | GLN | MET | ASN | SER | LEU | LYS | PRO | ||||
| 10 | GLU | ASP | THR | ALA | VAL | TYR | TYR | CYS | ASN | VAL | ||||
| 11 | ASN | VAL | GLY | PHE | GLU | TYR | TRP | GLY | GLN | GLY | ||||
| 12 | THR | GLN | VAL | THR | VAL | SER | SER | HIS | HIS | HIS | ||||
| 13 | HIS | HIS | HIS |
Samples:
sample_1: Anti-GFP Nanobody, [U-13C; U-15N], 1 mM
sample_conditions_1: ionic strength: 167.2 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(COCA)CB | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCONH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D-CCONH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D CCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D HBCBCGCDCDHE | sample_1 | isotropic | sample_conditions_1 |
| 2D HBCBCGCDCDHE | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRView, Johnson, One Moon Scientific - chemical shift assignment
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Agilent DD2 800 MHz
- Agilent DD2 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts