BMRB Entry 17594
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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/BMR17594
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Title: Solution NMR structure of a helical bundle domain from human E3 ligase HECTD1. Northeast structural genomics consortium (NESG) target HT6305A
Deposition date: 2011-04-15 Original release date: 2012-08-07
Authors: Lemak, Alexander; Yee, Adelinda; Houliston, Scott; Garcia, Maite; Arrowsmith, Cheryl; Dhe-Paganon, Sirano
Citation: Lemak, Alexander; Yee, Adelinda; Houliston, Scott; Garcia, Maite; Arrowsmith, Cheryl; Dhe-Paganon, Sirano. "NMR solution structure of a helical bundle from the E3 ligase HECTD1" Not known ., .-..
Assembly members:
entity, polymer, 88 residues, 10079.442 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: MKDSDKEKENGKMGCWSIEH
VEQYLGTDELPKNDLITYLQ
KNADAAFLRHWKLTGTNKSI
RKNRNCSQLIAAYKDFCEHG
TKSGLNQG
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 356 |
| 15N chemical shifts | 96 |
| 1H chemical shifts | 564 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | hs00411 | 1 |
Entities:
Entity 1, hs00411 88 residues - 10079.442 Da.
| 1 | MET | LYS | ASP | SER | ASP | LYS | GLU | LYS | GLU | ASN | ||||
| 2 | GLY | LYS | MET | GLY | CYS | TRP | SER | ILE | GLU | HIS | ||||
| 3 | VAL | GLU | GLN | TYR | LEU | GLY | THR | ASP | GLU | LEU | ||||
| 4 | PRO | LYS | ASN | ASP | LEU | ILE | THR | TYR | LEU | GLN | ||||
| 5 | LYS | ASN | ALA | ASP | ALA | ALA | PHE | LEU | ARG | HIS | ||||
| 6 | TRP | LYS | LEU | THR | GLY | THR | ASN | LYS | SER | ILE | ||||
| 7 | ARG | LYS | ASN | ARG | ASN | CYS | SER | GLN | LEU | ILE | ||||
| 8 | ALA | ALA | TYR | LYS | ASP | PHE | CYS | GLU | HIS | GLY | ||||
| 9 | THR | LYS | SER | GLY | LEU | ASN | GLN | GLY |
Samples:
sample_1: hs00411, [U-13C; U-15N], 0.5 mM; TRIS 10 mM; sodium chloride 500 mM; ZnSO4 10 uM; DTT 10 mM; NaN3 0.01%; benzamidine 10 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 500 mM; pH: 7.7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D (H)CCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - peak picking
FMC, Lemak,Steren,Llinas, Arrowsmith - chemical shift assignment
TALOS, Cornilescu, Delaglio and Bax - data analysis
PSVS, Bhattacharya and Montelione - validation
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMR spectrometers:
- Bruker Avance 500 MHz
- Bruker Avance 800 MHz
Related Database Links:
| PDB | |
| DBJ | BAA86445 BAD32384 BAG54248 |
| EMBL | CAB53681 |
| GB | AAI72391 AAP13073 AAW65983 EAW65950 EAW65952 |
| REF | NP_001248188 NP_056197 NP_659037 XP_001489913 XP_002696742 |
| SP | Q69ZR2 Q9ULT8 |
| TPG | DAA17475 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts