BMRB Entry 19068
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19068
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: Liu, Gaohua; Xiao, Rong; Janjua, Haleema; Hamilton, Keith; Shastry, Ritu; Kohan, Eitan; Acton, Thomas; Everett, John; Pederson, Kari; Huang, Yuangpeng; Montelione, Gaetano. "Solution NMR Structure CTD domain of NFU1 Iron-Sulfur Cluster Scaffold Homolog from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR2876C" To be published ., .-..
Assembly members:
HR2876C, polymer, 97 residues, 10818.129 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 Vector: pET15_NESG
Entity Sequences (FASTA):
HR2876C: MGHHHHHHSHMGSEEDDGVV
AMIKELLDTRIRPTVQEDGG
DVIYKGFEDGIVQLKLQGSC
TSCPSSIITLKNGIQNMLQF
YIPEVEGVEQVMDDESD
- RDCs
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 373 |
| 15N chemical shifts | 91 |
| 1H chemical shifts | 611 |
| residual dipolar couplings | 140 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | HR2876C | 1 |
Entities:
Entity 1, HR2876C 97 residues - 10818.129 Da.
| 1 | MET | GLY | HIS | HIS | HIS | HIS | HIS | HIS | SER | HIS | ||||
| 2 | MET | GLY | SER | GLU | GLU | ASP | ASP | GLY | VAL | VAL | ||||
| 3 | ALA | MET | ILE | LYS | GLU | LEU | LEU | ASP | THR | ARG | ||||
| 4 | ILE | ARG | PRO | THR | VAL | GLN | GLU | ASP | GLY | GLY | ||||
| 5 | ASP | VAL | ILE | TYR | LYS | GLY | PHE | GLU | ASP | GLY | ||||
| 6 | ILE | VAL | GLN | LEU | LYS | LEU | GLN | GLY | SER | CYS | ||||
| 7 | THR | SER | CYS | PRO | SER | SER | ILE | ILE | THR | LEU | ||||
| 8 | LYS | ASN | GLY | ILE | GLN | ASN | MET | LEU | GLN | PHE | ||||
| 9 | TYR | ILE | PRO | GLU | VAL | GLU | GLY | VAL | GLU | GLN | ||||
| 10 | VAL | MET | ASP | ASP | GLU | SER | ASP |
Samples:
sample_NC: HR2876C.003, [U-100% 13C; U-100% 15N], 1.0 mM; DTT 5 mM; NaCl 100 mM; Tris-HCl pH 7.5 10 mM; NaN3 0.02%
sample_NC_2: HR2876C.003, [U-100% 13C; U-100% 15N], 1.0 mM; DTT 5 mM; NaCl 100 mM; Tris-HCl pH 7.5 10 mM; NaN3 0.02%
sample_NC_3: HR2876C.003, [U-100% 13C; U-100% 15N], 1.0 mM; DTT 5 mM; NaCl 100 mM; Tris-HCl pH 7.5 10 mM; NaN3 0.02%
sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_NC_3 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_NC | isotropic | sample_conditions_1 |
| 3D HNCO | sample_NC_3 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_NC_3 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_NC_3 | isotropic | sample_conditions_1 |
| 3D 1H-13C arom NOESY | sample_NC_3 | isotropic | sample_conditions_1 |
| 3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY | sample_NC_3 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_NC | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_NC_3 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinemen,structure solution,geometry optimization
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - refinement,geometry optimization,structure solution
AutoStruct v2.1, Huang, Tejero, Powers and Montelione - data analysis,refinement
AutoAssign v2.1, Zimmerman, Moseley, Kulikowski and Montelione - data analysis,chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
XEASY, Bartels et al. - data analysis,peak picking,chemical shift assignment
TOPSPIN, Bruker Biospin - collection
VNMRJ, Varian - collection
SPARKY, Goddard - data analysis
TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization
REDCAT, Valafar, Prestegard - geometry optimization
PSVS, Bhattacharya, Montelione - structure validation
NMR spectrometers:
- Bruker Avance 800 MHz
- Varian INOVA 600 MHz
- Varian INOVA 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAG36716 BAG62381 BAI46893 |
| EMBL | CAB53015 CAD98142 CAG32778 |
| GB | AAD27742 AAI05370 AAI13693 AAI13695 AAP92372 |
| REF | NP_001002755 NP_001006305 NP_001040031 NP_056515 XP_001096379 |
| SP | Q9UMS0 |
| TPG | DAA24542 |
| AlphaFold | Q9UMS0 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks