BMRB Entry 15450
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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/BMR15450
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Title: ThrA3-DKP-insulin PubMed: 17884811
Deposition date: 2007-08-31 Original release date: 2008-06-26
Authors: Huang, Kun; Chan, Shu; Hua, Qing-xin; Chu, Ying-Chi; Wang, Run-ying; Klaproth, Birgit; Jia, Wenhua; Whittaker, Jonathan; De Meyts, Pierre; Nakagawa, Satoe; Steiner, Donald; Katsoyannis, Panayotis; Weiss, Michael
Citation: Huang, Kun; Chan, Shu; Hua, Qing-xin; Chu, Ying-Chi; Wang, Run-ying; Klaproth, Birgit; Jia, Wenhua; Whittaker, Jonathan; De Meyts, Pierre; Nakagawa, Satoe; Steiner, Donald; Katsoyannis, Panayotis; Weiss, Michael. "The A-Chain of insulin contacts the insert domain of the insulin receptor. Photo-cross-linking and mutagenesis of a diabetes-related crevice." J. Biol. Chem. 282, 35337-35349 (2007).
Assembly members:
A-chain, polymer, 21 residues, 2385.673 Da.
B-chain, polymer, 30 residues, 3411.928 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):
A-chain: GITEQCCTSICSLYQLENYC
N
B-chain: FVNQHLCGSDLVEALYLVCG
ERGFFYTKPT
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 310 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | A-chain | 1 |
| 2 | B-chain | 2 |
Entities:
Entity 1, A-chain 21 residues - 2385.673 Da.
| 1 | GLY | ILE | THR | GLU | GLN | CYS | CYS | THR | SER | ILE | ||||
| 2 | CYS | SER | LEU | TYR | GLN | LEU | GLU | ASN | TYR | CYS | ||||
| 3 | ASN |
Entity 2, B-chain 30 residues - 3411.928 Da.
| 1 | PHE | VAL | ASN | GLN | HIS | LEU | CYS | GLY | SER | ASP | |
| 2 | LEU | VAL | GLU | ALA | LEU | TYR | LEU | VAL | CYS | GLY | |
| 3 | GLU | ARG | GLY | PHE | PHE | TYR | THR | LYS | PRO | THR |
Samples:
sample_1: ThrA3-DKP-insulin 1 ± 0.2 mM; D2O 90%; H2O 10%
sample_2: ThrA3-DKP-insulin 1 ± 0.2 mM; D2O 100%
sample_3: ThrA3-DKP-insulin 1 ± 0.2 mM; D2O 80%; D-acetic acid 3.1 ± 0.2 M
sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 308 K
sample_conditions_2: pD: 6.6; pressure: 1 atm; temperature: 308 K
sample_conditions_3: pD: 7.6; pressure: 1 atm; temperature: 315 K
sample_conditions_4: pH: 1.9; pressure: 1 atm; temperature: 308 K
sample_conditions_5: pD: 1.9; pressure: 1 atm; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_2 |
| 2D DQF-COSY | sample_3 | isotropic | sample_conditions_3 |
| 2D 1H-1H TOCSY | sample_3 | isotropic | sample_conditions_3 |
| 2D 1H-1H NOESY | sample_3 | isotropic | sample_conditions_3 |
| 2D DQF-COSY | sample_3 | isotropic | sample_conditions_4 |
| 2D 1H-1H TOCSY | sample_3 | isotropic | sample_conditions_4 |
| 2D 1H-1H NOESY | sample_3 | isotropic | sample_conditions_4 |
| 2D DQF-COSY | sample_3 | isotropic | sample_conditions_5 |
| 2D 1H-1H TOCSY | sample_3 | isotropic | sample_conditions_5 |
| 2D 1H-1H NOESY | sample_3 | isotropic | sample_conditions_5 |
Software:
CNS, Accelrys Software Inc. - refinement
X-PLOR v3.1, Brunger - refinement
NMR spectrometers:
- Varian INOVA 600 MHz
- Bruker DMX 800 MHz