BMRB Entry 16343
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16343
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Title: NMR STRUCTURE OF HUMAN INSULIN MUTANT GLU-B21-D-GLU, HIS-B10 ASP PRO-B28-LYS, LYS-B29-PRO, 20 STRUCTURES PubMed: 20106984
Deposition date: 2009-06-10 Original release date: 2010-05-19
Authors: Hua, Q.; Huang, K.; Hu, S.; Katsoyanni, P.; Weiss, M.
Citation: Yang, Yanwu; Petkova, Aneta; Huang, Kun; Xu, Bin; Hua, Qing-Xin; Ye, I-Ju; Chu, Ying-Chi; Hu, Shi-Quan; Phillips, Nelson; Whittaker, Jonathan; Ismail-Beigi, Faramarz; Mackin, Robert; Katsoyannis, Panayotis; Tycko, Robert; Weiss, Michael. "An Achilles' heel in an amyloidogenic protein and its repair: insulin fibrillation and therapeutic design." J. Biol. Chem. 285, 10806-10821 (2010).
Assembly members:
INSULIN_A_CHAIN, polymer, 21 residues, 2383.700 Da.
INSULIN_B_CHAIN, polymer, 30 residues, 3410.921 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):
INSULIN_A_CHAIN: GIVEQCCTSICSLYQLENYC
N
INSULIN_B_CHAIN: FVNQHLCGSDLVEALYLVCG
XRGFFYTKPT
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 332 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | INSULIN A CHAIN | 1 |
| 2 | INSULIN B CHAIN | 2 |
Entities:
Entity 1, INSULIN A CHAIN 21 residues - 2383.700 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 |
Entity 2, INSULIN B CHAIN 30 residues - 3410.921 Da.
| 1 | PHE | VAL | ASN | GLN | HIS | LEU | CYS | GLY | SER | ASP | |
| 2 | LEU | VAL | GLU | ALA | LEU | TYR | LEU | VAL | CYS | GLY | |
| 3 | DGL | ARG | GLY | PHE | PHE | TYR | THR | LYS | PRO | THR |
Samples:
sample_1: INSULIN A CHAIN 0.5 mM; INSULIN B CHAIN 0.5 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.1 mM; pH: 7.0; pressure: 1.0 atm; temperature: 298 K
sample_conditions_2: ionic strength: 0.1 mM; pH: 2.0; pressure: 1.0 atm; temperature: 298 K
sample_conditions_3: ionic strength: 0.1 mM; pH: 7.6; pressure: 1.0 atm; temperature: 305 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D TOCSY | sample_1 | isotropic | sample_conditions_1 |
| NOESY | sample_1 | isotropic | sample_conditions_1 |
| COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR v3.85, BRUNGER - refinement
xwinnmr v3.5, Bruker Biospin - structure solution
NMR spectrometers:
- BRUKER DRX 700 MHz
Related Database Links:
| BMRB | 1000 1002 1004 1006 1008 1010 1012 1014 1016 1018 1020 1022 1023 11016 1344 15464 1585 1587 16026 16027 1632 16608 16663 16915 17107 1761 17803 18858 18859 18921 18923 18924 18925 19822 19978 19979 20052 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 |