BMRB Entry 17358
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17358
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Title: Solution structure of the third Immunoglobulin-like domain of nectin-1
Deposition date: 2010-12-13 Original release date: 2012-02-15
Authors: Clausen, Ole; Poulsen, Flemming
Citation: Clausen, Ole; Poulsen, Flemming. "Solution structure of the third Immunoglobulin-like domain of nectin-1" Not known ., .-..
Assembly members:
entity, polymer, 95 residues, 10599.844 Da.
Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus
Experimental source: Production method: recombinant technology Host organism: Pichia pastoris
Entity Sequences (FASTA):
entity: LNVQYEPEVTIEGFDGNWYL
QRTDVKLTCKADANPPATEY
HWTTLNGSLPKGVEAQNRTL
FFRGPITYSLAGTYICEATN
PIGTRSGQVEVNITH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 170 |
| 15N chemical shifts | 84 |
| 1H chemical shifts | 373 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | nectin-1 | 1 |
Entities:
Entity 1, nectin-1 95 residues - 10599.844 Da.
| 1 | LEU | ASN | VAL | GLN | TYR | GLU | PRO | GLU | VAL | THR | ||||
| 2 | ILE | GLU | GLY | PHE | ASP | GLY | ASN | TRP | TYR | LEU | ||||
| 3 | GLN | ARG | THR | ASP | VAL | LYS | LEU | THR | CYS | LYS | ||||
| 4 | ALA | ASP | ALA | ASN | PRO | PRO | ALA | THR | GLU | TYR | ||||
| 5 | HIS | TRP | THR | THR | LEU | ASN | GLY | SER | LEU | PRO | ||||
| 6 | LYS | GLY | VAL | GLU | ALA | GLN | ASN | ARG | THR | LEU | ||||
| 7 | PHE | PHE | ARG | GLY | PRO | ILE | THR | TYR | SER | LEU | ||||
| 8 | ALA | GLY | THR | TYR | ILE | CYS | GLU | ALA | THR | ASN | ||||
| 9 | PRO | ILE | GLY | THR | ARG | SER | GLY | GLN | VAL | GLU | ||||
| 10 | VAL | ASN | ILE | THR | HIS |
Samples:
sample_1: nectin-1, [U-13C; U-15N], 1.0 mM; sodium phosphate 10 mM; sodium chloride 50 mM; sodium azide 0.02 % v/v
sample_conditions_1: ionic strength: 0.06 M; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
VNMR, Varian - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
PRONTO, Kjur, Andersen and Poulsen - chemical shift assignment, peak picking
TALOS, Cornilescu, Delaglio and Bax - data analysis
ARIA, Linge, O, . - refinement
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Varian INOVA 750 MHz
Related Database Links:
| PDB | |
| GB | AAF60333 AAF76195 AAG22808 AAG30283 AAH60694 |
| REF | NP_001093946 NP_067399 XP_003513871 XP_004667415 XP_005069470 |
| SP | Q9JKF6 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts