BMRB Entry 30810
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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/BMR30810
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Title: Structure of the integrin aIIb(W968V)b3 transmembrane complex PubMed: 33539882
Deposition date: 2020-11-03 Original release date: 2021-09-08
Authors: Situ, A.; Kim, J.; An, W.; Kim, C.; Ulmer, T.
Citation: Situ, A.; Kim, J.; An, W.; Kim, C.; Ulmer, T.. "Insight Into Pathological Integrin aIIbb3 Activation From Safeguarding The Inactive State" J. Mol. Biol. 433, 166832-166832 (2021).
Assembly members:
entity_1, polymer, 43 residues, 4753.871 Da.
entity_2, polymer, 44 residues, 4775.867 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: GALEERCGIPIWVVLVGVLG
GLLLLTILVLAMWKVGFFKR
NRP
entity_2: GESPKCGPDILVVLLSVMGA
ILLIGLAALLIWKLLITIHD
RKEF
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 140 |
| 15N chemical shifts | 72 |
| 1H chemical shifts | 104 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
| 2 | unit_2 | 2 |
Entities:
Entity 1, unit_1 43 residues - 4753.871 Da.
| 1 | GLY | ALA | LEU | GLU | GLU | ARG | CYS | GLY | ILE | PRO | ||||
| 2 | ILE | TRP | VAL | VAL | LEU | VAL | GLY | VAL | LEU | GLY | ||||
| 3 | GLY | LEU | LEU | LEU | LEU | THR | ILE | LEU | VAL | LEU | ||||
| 4 | ALA | MET | TRP | LYS | VAL | GLY | PHE | PHE | LYS | ARG | ||||
| 5 | ASN | ARG | PRO |
Entity 2, unit_2 44 residues - 4775.867 Da.
| 1 | GLY | GLU | SER | PRO | LYS | CYS | GLY | PRO | ASP | ILE | ||||
| 2 | LEU | VAL | VAL | LEU | LEU | SER | VAL | MET | GLY | ALA | ||||
| 3 | ILE | LEU | LEU | ILE | GLY | LEU | ALA | ALA | LEU | LEU | ||||
| 4 | ILE | TRP | LYS | LEU | LEU | ILE | THR | ILE | HIS | ASP | ||||
| 5 | ARG | LYS | GLU | PHE |
Samples:
sample_1: entity_1, [U-100% 13C; U-100% 15N; U-80% 2H], 0.8 mM; entity_2, [U-100% 13C; U-100% 15N; U-80% 2H], 0.8 mM
sample_conditions_1: ionic strength: 25 mM; pH: 7.4; pressure: 1 atm; temperature: 313.2 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation
CARA, Keller and Wuthrich - chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
NMR spectrometers:
- Bruker AVANCE 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts