BMRB Entry 20052
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR20052
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Title: Solution NMR Structure of Insulin A-chain peptide PubMed: 19954153
Deposition date: 2008-11-04 Original release date: 2010-03-01
Authors: Sharma, Alok; Zhang, Yong; Ling, Yan; Greer, Allison; Hafler, David; Kent, Sally; Rigby, Alan
Citation: Sharma, Alok; Ling, Yan; Greer, Allison; Hafler, David; Kent, Sally; Zhang, Yong; Rigby, Alan. "Evaluating the intrinsic cysteine redox-dependent states of the A-chain of human insulin using NMR spectroscopy, quantum chemical calculations, and mass spectrometry." J. Phys. Chem. B 114, 585-591 (2010).
Assembly members:
Human_Insulin_A-chain_peptide, polymer, 15 residues, Formula weight is not available
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
Human_Insulin_A-chain_peptide: GIVEQCCTSICSLYQ
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 30 |
| 1H chemical shifts | 100 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Insulin A-chain | 1 |
Entities:
Entity 1, Insulin A-chain 15 residues - Formula weight is not available
| 1 | GLY | ILE | VAL | GLU | GLN | CYS | CYS | THR | SER | ILE | ||||
| 2 | CYS | SER | LEU | TYR | GLN |
Samples:
sample_1: Human Insulin A-chain peptide 3.03 mM; DMSO-d6, [U-99% 2H], 80%; H2O 20%
sample_conditions_1: pH: 6.0; temperature: 288 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H ROESY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe v2007.030.16.06, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRDraw vVersion 3.0 Rev 2007.068.09.07, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis, peak picking
ANSIG vv3.3, Kraulis - data analysis
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 600 MHz
Related Database Links:
| BMRB | 1000 1002 1004 1006 1008 1010 1012 1014 1016 1018 1020 1022 11016 1344 15464 16026 16027 1632 16343 16608 16663 16915 17107 1761 17803 18858 18859 18921 18923 18924 18925 19822 19978 19979 20053 25260 25261 4266 |
| PDB | |
| DBJ | BAH59081 BAJ17943 BAM29044 |
| EMBL | CAA23424 CAA23475 CAA23828 CAA43403 CAA43405 |
| GB | AAA17540 AAA19033 AAA36849 AAA59172 AAA59173 |
| PRF | 0601246A 1006230A 550086A 560164B 580107B |
| REF | NP_000198 NP_001008996 NP_001075804 NP_001103242 NP_001123565 |
| SP | P01308 P01311 P01315 P01321 P30406 |