BMRB Entry 19614
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19614
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Title: The basic-helix-loop-helix region of the transcriptional repressor HES-1 is preorganized to bind DNA PubMed: 24403087
Deposition date: 2013-11-15 Original release date: 2014-02-03
Authors: Wienk, Hans; Popovic, Matija; Coglievina, Maristella; Boelens, Rolf; Pongor, Sandor; Pintar, Alessandro
Citation: Popovic, Matija; Wienk, Hans; Coglievina, Maristella; Boelens, Rolf; Pongor, Sandor; Pintar, Alessandro. "The basic helix-loop-helix region of the transcriptional repressor hairy and enhancer of split 1 is preorganized to bind DNA." Proteins 82, 537-545 (2014).
Assembly members:
entity, polymer, 70 residues, 8227.798 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: MKPKTASEHRKSSKPIMEKR
RRARINESLSQLKTLILDAL
KKDSSRHSKLEKADILEMTV
KHLRNLQRAQ
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 604 |
| 15N chemical shifts | 142 |
| 1H chemical shifts | 976 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | HES-1_1 | 1 |
| 2 | HES-1_2 | 1 |
Entities:
Entity 1, HES-1_1 70 residues - 8227.798 Da.
| 1 | MET | LYS | PRO | LYS | THR | ALA | SER | GLU | HIS | ARG | |
| 2 | LYS | SER | SER | LYS | PRO | ILE | MET | GLU | LYS | ARG | |
| 3 | ARG | ARG | ALA | ARG | ILE | ASN | GLU | SER | LEU | SER | |
| 4 | GLN | LEU | LYS | THR | LEU | ILE | LEU | ASP | ALA | LEU | |
| 5 | LYS | LYS | ASP | SER | SER | ARG | HIS | SER | LYS | LEU | |
| 6 | GLU | LYS | ALA | ASP | ILE | LEU | GLU | MET | THR | VAL | |
| 7 | LYS | HIS | LEU | ARG | ASN | LEU | GLN | ARG | ALA | GLN |
Samples:
sample_1: entity, [U-99% 13C; U-99% 15N], 2 mM; potassium phosphate 50 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 288 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| triple resonance assignment | sample_1 | isotropic | sample_conditions_1 |
| relaxation | sample_1 | isotropic | sample_conditions_1 |
| DNA titration | sample_1 | isotropic | sample_conditions_1 |
| NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CCPN_ANALYSIS, CCPN - chemical shift assignment
CS-Rosetta, Shen, Vernon, Baker and Bax - structure model
TALOS+, Cornilescu, Delaglio and Bax - data analysis
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
CING, Vuister et al - structure validation
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 900 MHz
Related Database Links:
| PDB | |
| DBJ | BAA02682 BAA03931 BAA91149 BAE21226 BAE21713 |
| EMBL | CAA65998 CAG08099 CAG46641 CAJ82991 CDQ79517 |
| GB | AAA41307 AAA65220 AAA79185 AAF73060 AAH18375 |
| PRF | 1905315A |
| REF | NP_001011194 NP_001029850 NP_001079386 NP_001081396 NP_001098313 |
| SP | P35428 Q04666 Q14469 Q3ZBG4 Q5PPM5 |
| TPG | DAA33369 |
Download simulated HSQC data in one of the following formats:
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