BMRB Entry 19979
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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/BMR19979
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Title: Solution structure of B24G insulin PubMed: 25092300
Deposition date: 2014-05-19 Original release date: 2014-12-22
Authors: Yang, Yanwu; Wickramasinghe, Nalinda; Hua, Qingxin; Weiss, Michael
Citation: Menting, John; Yang, Yanwu; Chan, Shu; Phillips, Nelson; Smith, Brian; Whittaker, Jonathan; Wickramasinghe, Nalinda; Whittaker, Linda; Pandyarajan, Vijay; Wan, Zhu-li; Yadav, Satya; Carroll, Julie; Strokes, Natalie; Roberts, Charles; Ismail-Beigi, Faramarz; Milewski, Wieslawa; Steiner, Donald; Chauhan, Virander; Ward, Colin; Weiss, Michael; Lawrence, Michael. "Protective hinge in insulin opens to enable its receptor engagement" Proc. Natl. Acad. Sci. U.S.A. 111, E3395-E3404 (2014).
Assembly members:
entity, polymer, 51 residues, 5686.482 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity: GIVEQCCTSICSLYQLENYC
NFVNQHLCGSDLVEALYLVC
GERGGFYTKPT
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 261 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | B24G insulin | 1 |
Entities:
Entity 1, B24G insulin 51 residues - 5686.482 Da.
| 1 | GLY | ILE | VAL | GLU | GLN | CYS | CYS | THR | SER | ILE | ||||
| 2 | CYS | SER | LEU | TYR | GLN | LEU | GLU | ASN | TYR | CYS | ||||
| 3 | ASN | PHE | VAL | ASN | GLN | HIS | LEU | CYS | GLY | SER | ||||
| 4 | ASP | LEU | VAL | GLU | ALA | LEU | TYR | LEU | VAL | CYS | ||||
| 5 | GLY | GLU | ARG | GLY | GLY | PHE | TYR | THR | LYS | PRO | ||||
| 6 | THR |
Samples:
sample_1: entity 0.3 mM
sample_2: entity 0.3 mM
sample_conditions_1: temperature: 273 K; pH: 8; pressure: 1 atm; ionic strength: 0.5 mM
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
InsightII, Accelrys Software Inc. - structure solution
X-PLOR, Brunger - refinement
xwinnmr, Bruker Biospin - collection
VNMR, Varian - data analysis
NMR spectrometers:
- Bruker Avance 700 MHz
- Bruker Avance 700 MHz