BMRB Entry 11016
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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/BMR11016
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Bocian, Wojciech; Borowicz, Piotr; Mikolajczyk, Jerzy; Sitkowski, Jerzy; Tarnowska, Anna; Bednarek, Elzbieta; Glabski, Tadeusz; Tejchman-Malecka, Bozena; Bogiel, Monika; Kozerski, Lech. "NMR structure of biosynthetic engineered human insulin monomer B31(Lys)-B32(Arg) in water /acetonitrile solution. Comparison with the solution structure of native human insulin monomer." Biopolymers 89, 820-830 (2008).
PubMed: 18491415
Assembly members:
Chain A, polymer, 21 residues, 2383.700 Da.
Chain B, polymer, 32 residues, 3721.365 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pDBAST-RAT-N-7-1
Entity Sequences (FASTA):
Chain A: GIVEQCCTSICSLYQLENYC
N
Chain B: FVNQHLCGSHLVEALYLVCG
ERGFFYTPKTKR
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 361 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Chain A | 1 |
| 2 | Chain B | 2 |
Entities:
Entity 1, Chain A 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, Chain B 32 residues - 3721.365 Da.
| 1 | PHE | VAL | ASN | GLN | HIS | LEU | CYS | GLY | SER | HIS | ||||
| 2 | LEU | VAL | GLU | ALA | LEU | TYR | LEU | VAL | CYS | GLY | ||||
| 3 | GLU | ARG | GLY | PHE | PHE | TYR | THR | PRO | LYS | THR | ||||
| 4 | LYS | ARG |
Samples:
sample_1: Chain A 2.0 mM; Chain B 2.0 mM; CD3CN 35%; D2O 65%
sample_2: Chain A 2.0 mM; Chain B 2.0 mM; CD3CN 35%; H2O 65%
sample_conditions_1: pH: 3.6; pressure: 1 atm; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
AMBER v9, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll - refinement, structure solution
NMR spectrometers:
- Varian Uniform NMR System 500 MHz