BMRB Entry 19685
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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/BMR19685
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Title: RRM3 intermediate state
Deposition date: 2013-12-14 Original release date: 2014-12-15
Authors: Bhatt, Harshesh; Kaushik, Abhinav; Gupta, Dinesh; Bhavesh, Neel Sarovar
Citation: Bhatt, Harshesh; Kaushik, Abhinav; Gupta, Dinesh; Bhavesh, Neel Sarovar. "RRM3 intermediate state" Not known ., .-..
Assembly members:
entity, polymer, 97 residues, 10930.638 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: GSHMQKEGPEGANLFIYHLP
QEFGDQDILQMFMPFGNVIS
AKVFIDKQTNLSKCFGFVSY
DNPVSAQAAIQAMNGFQIGM
KRLKVQLKRSKNDSKPY
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 396 |
| 15N chemical shifts | 107 |
| 1H chemical shifts | 560 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | RRM3 intermediate state | 1 |
Entities:
Entity 1, RRM3 intermediate state 97 residues - 10930.638 Da.
| 1 | GLY | SER | HIS | MET | GLN | LYS | GLU | GLY | PRO | GLU | ||||
| 2 | GLY | ALA | ASN | LEU | PHE | ILE | TYR | HIS | LEU | PRO | ||||
| 3 | GLN | GLU | PHE | GLY | ASP | GLN | ASP | ILE | LEU | GLN | ||||
| 4 | MET | PHE | MET | PRO | PHE | GLY | ASN | VAL | ILE | SER | ||||
| 5 | ALA | LYS | VAL | PHE | ILE | ASP | LYS | GLN | THR | ASN | ||||
| 6 | LEU | SER | LYS | CYS | PHE | GLY | PHE | VAL | SER | TYR | ||||
| 7 | ASP | ASN | PRO | VAL | SER | ALA | GLN | ALA | ALA | ILE | ||||
| 8 | GLN | ALA | MET | ASN | GLY | PHE | GLN | ILE | GLY | MET | ||||
| 9 | LYS | ARG | LEU | LYS | VAL | GLN | LEU | LYS | ARG | SER | ||||
| 10 | LYS | ASN | ASP | SER | LYS | PRO | TYR |
Samples:
sample_1: RRM3 intermediate state, [U-99% 13C; U-99% 15N], 1 mM; D2O, [U-100% 2H], 5%; H2O 95%; sodium chloride 50 mM; sodium phosphate 20 mM; urea 6 M
sample_2: RRM3 intermediate state, [U-99% 15N], 1 mM; D2O, [U-100% 2H], 5%; H2O 95%; sodium chloride 50 mM; sodium phosphate 20 mM; urea 6 M
sample_conditions_1: ionic strength: 0.02 M; pH: 6.5; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | 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 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection, processing
CARA, Keller and Wuthrich - chemical shift assignment, data analysis, peak picking
CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift calculation, structure solution
AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
NMR spectrometers:
- Bruker Avance 500 MHz
- Bruker Avance 700 MHz
Related Database Links:
| BMRB | 16884 |
| PDB | |
| DBJ | BAE36341 BAG58428 BAG59778 BAG63913 |
| EMBL | CAF96701 CDQ91280 |
| GB | AAF89096 AAH45035 AAI36077 AAP57761 AAP57762 |
| REF | NP_001079593 NP_001096417 NP_001279263 XP_004574118 XP_004574119 |
| SP | A4IIM2 Q7T2T1 Q7ZXE2 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts