BMRB Entry 15254
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15254
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Citation: Bhattacharya, Nilakshee; Yi, M.; Zhou, H.; Logan, T.. "Backbone dynamics in an intramolecular prolylpeptide-SH3 complex from the
diphtheria toxin repressor, DtxR" J. Mol. Biol. 374, 977-992 (2007).
PubMed: 17976643
Assembly members:
PrSH3, polymer, 121 residues, Formula weight is not available
Natural source: Common Name: Corynebacterium diphtheriae Taxonomy ID: 1717 Superkingdom: Bacteria Kingdom: not available Genus/species: Corynebacterium diphtheriae
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-15b
Entity Sequences (FASTA):
PrSH3: GSHMDEVERRLVKVLKDVSR
SPFGNPIPGLDELGVGNSDA
AAPGTRVIDAATSMPRKVRI
VQINEIFQVETDQFTQLLDA
DIRVGSEVEIVDRDGHITLS
HNGKDVELLDDLAHTIRIEE
L
- heteronucl_NOEs
- heteronucl_T1_relaxation
- heteronucl_T1rho_relaxation
- heteronucl_T2_relaxation
| Data type | Count |
| heteronuclear NOE values | 99 |
| T1 relaxation values | 197 |
| T1rho relaxation values | 98 |
| T2 relaxation values | 197 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | subunit 1 | 1 |
Entities:
Entity 1, subunit 1 121 residues - Formula weight is not available
| 1 | GLY | SER | HIS | MET | ASP | GLU | VAL | GLU | ARG | ARG | ||||
| 2 | LEU | VAL | LYS | VAL | LEU | LYS | ASP | VAL | SER | ARG | ||||
| 3 | SER | PRO | PHE | GLY | ASN | PRO | ILE | PRO | GLY | LEU | ||||
| 4 | ASP | GLU | LEU | GLY | VAL | GLY | ASN | SER | ASP | ALA | ||||
| 5 | ALA | ALA | PRO | GLY | THR | ARG | VAL | ILE | ASP | ALA | ||||
| 6 | ALA | THR | SER | MET | PRO | ARG | LYS | VAL | ARG | ILE | ||||
| 7 | VAL | GLN | ILE | ASN | GLU | ILE | PHE | GLN | VAL | GLU | ||||
| 8 | THR | ASP | GLN | PHE | THR | GLN | LEU | LEU | ASP | ALA | ||||
| 9 | ASP | ILE | ARG | VAL | GLY | SER | GLU | VAL | GLU | ILE | ||||
| 10 | VAL | ASP | ARG | ASP | GLY | HIS | ILE | THR | LEU | SER | ||||
| 11 | HIS | ASN | GLY | LYS | ASP | VAL | GLU | LEU | LEU | ASP | ||||
| 12 | ASP | LEU | ALA | HIS | THR | ILE | ARG | ILE | GLU | GLU | ||||
| 13 | LEU |
Samples:
sample_1: PrSH3, [U-15N], 0.8 mM; H2O 90%; D2O 10%; K Phos 50 mM
sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 15N T1 | sample_1 | isotropic | sample_conditions_1 |
| 15N T2 | sample_1 | isotropic | sample_conditions_1 |
| 15N T1rho | sample_1 | isotropic | sample_conditions_1 |
| Het NOE | sample_1 | isotropic | sample_conditions_1 |
| 15N T1 | sample_1 | isotropic | sample_conditions_1 |
| 15N T2 | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRView, Johnson, One Moon Scientific - data analysis
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 720 MHz