BMRB Entry 17169
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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/BMR17169
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Title: Solution NMR Structure of DRBM 2 domain of Interleukin enhancer-binding factor 3 from homo sapiens, Northeast Structural Genomics Consortium Target HR4527E
Deposition date: 2010-09-03 Original release date: 2010-10-01
Authors: Liu, Gaohua; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Ciccosanti, COLLEEN; Shastry, Ritu; Everett, John; Montelione, Gaetano
Citation: Liu, Gaohua; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Everett, John; Montelione, Gaetano. "Northeast Structural Genomics Consortium Target HR4527E" To be published ., .-..
Assembly members:
HR4527E, polymer, 91 residues, 10189.764 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):
HR4527E: MGHHHHHHSHMLTKHGKNPV
MELNEKRRGLKYELISETGG
SHDKRFVMEVEVDGQKFQGA
GSNKKVAKAYAALAALEKLF
PDTPLALDANK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 283 |
| 15N chemical shifts | 82 |
| 1H chemical shifts | 583 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | HR4527E | 1 |
Entities:
Entity 1, HR4527E 91 residues - 10189.764 Da.
| 1 | MET | GLY | HIS | HIS | HIS | HIS | HIS | HIS | SER | HIS | ||||
| 2 | MET | LEU | THR | LYS | HIS | GLY | LYS | ASN | PRO | VAL | ||||
| 3 | MET | GLU | LEU | ASN | GLU | LYS | ARG | ARG | GLY | LEU | ||||
| 4 | LYS | TYR | GLU | LEU | ILE | SER | GLU | THR | GLY | GLY | ||||
| 5 | SER | HIS | ASP | LYS | ARG | PHE | VAL | MET | GLU | VAL | ||||
| 6 | GLU | VAL | ASP | GLY | GLN | LYS | PHE | GLN | GLY | ALA | ||||
| 7 | GLY | SER | ASN | LYS | LYS | VAL | ALA | LYS | ALA | TYR | ||||
| 8 | ALA | ALA | LEU | ALA | ALA | LEU | GLU | LYS | LEU | PHE | ||||
| 9 | PRO | ASP | THR | PRO | LEU | ALA | LEU | ASP | ALA | ASN | ||||
| 10 | LYS |
Samples:
sample_NC5: HR4527E, [U-5% 13C; U-100% 15N], 0.7 mM; H2O 95%; D2O 5%
sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_NC5 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_NC5 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_NC5 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_NC5 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_NC5 | isotropic | sample_conditions_1 |
| 3D 1H-13C arom NOESY | sample_NC5 | isotropic | sample_conditions_1 |
| 3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY | sample_NC5 | isotropic | sample_conditions_1 |
Software:
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - geometry optimization, refinemen, structure solution
AutoStruct v2.1, Huang, Tejero, Powers and Montelione - data analysis, refinement
AutoAssign v2.1, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment, data analysis
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
XEASY, Bartels et al. - chemical shift assignment, data analysis, peak picking
TOPSPIN, Bruker Biospin - collection
VNMRJ, Varian - collection
PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment
SPARKY, Goddard - data analysis
TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization
PALES, PALES (Zweckstetter, Bax) - geometry optimization
REDCAT, Valafar, Prestegard - geometry optimization
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - geometry optimization, refinemen, structure solution
NMR spectrometers:
- 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