BMRB Entry 19978
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19978
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Title: Solution structure of the [AibB8,LysB28,ProB29]-insulin analogue PubMed: 24819248
Deposition date: 2014-05-17 Original release date: 2014-06-09
Authors: Kosinova, Lucie; Jiracek, Jiri; Zakova, Lenka; Veverka, Vaclav
Citation: Kosinova, Lucie; Veverka, Vaclav; Novotna, Pavlina; Collinsova, Michaela; Urbanova, Marie; Moody, Nicholas; Turkenburg, Johan; Jiraek, Jii; Brzozowski, Andrzej; Zakova, Lenka. "Insight into the structural and biological relevance of the t/r transition of the N-terminus of the B-chain in human insulin." Biochemistry 53, 3392-3402 (2014).
Assembly members:
entity_1, polymer, 21 residues, 2383.700 Da.
entity_2, polymer, 30 residues, 3462.034 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: chemical synthesis
Entity Sequences (FASTA):
entity_1: GIVEQCCTSICSLYQLENYC
N
entity_2: FVNQHLCXSHLVEALYLVCG
ERGFFYTKPT
- assigned_chemical_shifts
Data type | Count |
1H chemical shifts | 348 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | entity_1 | 1 |
2 | entity_2 | 2 |
Entities:
Entity 1, entity_1 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, entity_2 30 residues - 3462.034 Da.
1 | PHE | VAL | ASN | GLN | HIS | LEU | CYS | AIB | SER | HIS | |
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: entity_1 0.3 mM; acetic acid, [U-2H], 20%; H2O 95%; D2O 5%; entity_2 mM
sample_conditions_1: temperature: 298 K; pH: 1.9; pressure: 1 atm
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection, processing
SPARKY, Goddard - chemical shift assignment, data analysis
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
YASARA, YASARA - refinement
NMR spectrometers:
- Bruker Avance 600 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 16343 16608 16663 16915 17107 1761 17803 18858 18859 18921 18923 18924 18925 19822 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 |