BMRB Entry 16549
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16549
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Title: Solution NMR structure of the Mus81 N-terminal HhH. Northeast Structural Genomics Consortium target MmT1A
Deposition date: 2009-10-07 Original release date: 2009-11-09
Authors: Laister, Rob; Wu, Bin; Lemak, Alexander; Arrowsmith, Cheryl
Citation: Laister, Rob; Duan, Shili; Wu, Bin; Herzanych, Natalie; Arrowsmith, Cheryl. "Solution NMR structure and DNA binding mode of the Mus81 n-terminal helix-hairpin-helix domain." Not known ., .-..
Assembly members:
Mus81_NTD, polymer, 80 residues, 9415.062 Da.
Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Mus81_NTD: RPLPVCPNPPFVRWLTEWRD
EAASRGRHTRFVFQKALRSL
QRYPLPLRSGKEAKILQHFG
DRLCRMLDEKLKQHLASGGD
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 258 |
| 15N chemical shifts | 73 |
| 1H chemical shifts | 524 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Mus81_NTD | 1 |
Entities:
Entity 1, Mus81_NTD 80 residues - 9415.062 Da.
| 1 | ARG | PRO | LEU | PRO | VAL | CYS | PRO | ASN | PRO | PRO | |
| 2 | PHE | VAL | ARG | TRP | LEU | THR | GLU | TRP | ARG | ASP | |
| 3 | GLU | ALA | ALA | SER | ARG | GLY | ARG | HIS | THR | ARG | |
| 4 | PHE | VAL | PHE | GLN | LYS | ALA | LEU | ARG | SER | LEU | |
| 5 | GLN | ARG | TYR | PRO | LEU | PRO | LEU | ARG | SER | GLY | |
| 6 | LYS | GLU | ALA | LYS | ILE | LEU | GLN | HIS | PHE | GLY | |
| 7 | ASP | ARG | LEU | CYS | ARG | MET | LEU | ASP | GLU | LYS | |
| 8 | LEU | LYS | GLN | HIS | LEU | ALA | SER | GLY | GLY | ASP |
Samples:
sample_1: Mus81 NTD, [U-100% 13C; U-100% 15N], 1.0 mM; sodium phosphate 25 mM; sodium chloride 500 mM; DTT 2 mM; benzamidine 2 mM; PMSF 0.5 mM; EDTA 0.5 mM; TCEP 0.5 mM
sample_2: Mus81 NTD, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 25 mM; sodium chloride 500 mM; benzamidine 2 mM; DTT 2 mM; EDTA 0.5 mM; PMSF 0.5 mM; TCEP 0.5 mM
sample_conditions_1: ionic strength: 500 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D CCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D HCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aro | sample_2 | isotropic | sample_conditions_1 |
| CB-HD | sample_2 | isotropic | sample_conditions_1 |
| CB-HE | sample_2 | isotropic | sample_conditions_1 |
Software:
NMRPipe v2.3, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
MDDGUI v1.0, Gutmanas and Arrowsmith - processing
XEASY, Bartels et al. - chemical shift assignment
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
PSVS, Bhattacharya and Montelione - NMR structure quality assessment
NMR spectrometers:
- Varian INOVA 500 MHz
- Bruker Avance 800 MHz
- Varian INOVA 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts