BMRB Entry 25309
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25309
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Title: FBP28 WW2 , mutation Y438R PubMed: 25489078
Deposition date: 2014-11-03 Original release date: 2014-11-24
Authors: Macias, Maria; Scheraga, Harold; Sunol, David; Todorovski, Toni
Citation: Zhou, Rui; Maisuradze, Gia; Sunol, David; Todorovski, Toni; Macias, Maria; Xiao, Yi; Scheraga, Harold; Czaplewski, Cezary; Liwo, Adam. "Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements" Proc. Natl. Acad. Sci. U.S.A. 111, 18243-18248 (2014).
Assembly members:
entity, polymer, 37 residues, 4058.463 Da.
Natural source: Common Name: house 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):
entity: GATAVSEWTERKTADGKTYY
YNNRTLESTWEKPQELK
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 218 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 37 residues - 4058.463 Da.
| 1 | GLY | ALA | THR | ALA | VAL | SER | GLU | TRP | THR | GLU | ||||
| 2 | ARG | LYS | THR | ALA | ASP | GLY | LYS | THR | TYR | TYR | ||||
| 3 | TYR | ASN | ASN | ARG | THR | LEU | GLU | SER | THR | TRP | ||||
| 4 | GLU | LYS | PRO | GLN | GLU | LEU | LYS |
Samples:
sample_1: entity 0.7 mM; sodium chloride 100 mM; sodium phosphate 20 mM; sodium azide 1 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 285 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
XEASY, Bartels et al. - chemical shift assignment
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
TOPSPIN, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Bruker Avance 600 MHz
Related Database Links:
| BMRB | 11007 11008 15453 25313 25315 4714 |
| PDB | |
| GB | EGW05321 EHB12574 ELW66441 EQB78163 KFQ71484 |
| REF | XP_004697122 XP_006977759 XP_007653449 XP_008253407 XP_008926141 |