BMRB Entry 17915
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17915
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Title: PFBD: High-throughput Strategy of Backbone fold Determination for small well-folded proteins in less than a day PubMed: 22508472
Deposition date: 2011-09-04 Original release date: 2011-10-07
Authors: Kumar, Dinesh; Hosur, Ramakrishna V
Citation: Kumar, Dinesh; Borkar, Aditi; Hosur, Ramakrishna. "Facile backbone (1H, 15N, 13Ca, and 13C') assignment of 13C/15N-labeled proteins using orthogonal projection planes of HNN and HN(C)N experiments and its automation." Magn. Reson. Chem. 50, 357-363 (2012).
Assembly members:
SH3, polymer, 62 residues, 7229.313 Da.
LL5, non-polymer, 334.436 Da.
Natural source: Common Name: chicken Taxonomy ID: 9031 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Gallus Gallus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
SH3: MDETGKELVLALYDYQEKSP
REVTMKKGDILTLLNSTNKD
WWKVEVNDRQGFVPAAYVKK
LD
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 114 |
| 15N chemical shifts | 59 |
| 1H chemical shifts | 59 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SH3 | 1 |
| 2 | LL5_1 | 2 |
| 3 | LL5_2 | 2 |
| 4 | LL5_3 | 2 |
| 5 | LL5_4 | 2 |
| 6 | LL5_5 | 2 |
Entities:
Entity 1, SH3 62 residues - 7229.313 Da.
| 1 | MET | ASP | GLU | THR | GLY | LYS | GLU | LEU | VAL | LEU | ||||
| 2 | ALA | LEU | TYR | ASP | TYR | GLN | GLU | LYS | SER | PRO | ||||
| 3 | ARG | GLU | VAL | THR | MET | LYS | LYS | GLY | ASP | ILE | ||||
| 4 | LEU | THR | LEU | LEU | ASN | SER | THR | ASN | LYS | ASP | ||||
| 5 | TRP | TRP | LYS | VAL | GLU | VAL | ASN | ASP | ARG | GLN | ||||
| 6 | GLY | PHE | VAL | PRO | ALA | ALA | TYR | VAL | LYS | LYS | ||||
| 7 | LEU | ASP |
Entity 2, LL5_1 - C16 H22 N4 O2 S - 334.436 Da.
| 1 | LL5 |
Samples:
sample_1: SH3, [U-99% 13C; U-99% 15N], 1.2 mM; sodium phosphate 50 ± 0.05 mM; NaCl 150 ± 0.05 mM; H2O 90 ± 0.05 %; D2O" 10 ± 0.05 %
sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D hNcnH | sample_1 | isotropic | sample_conditions_1 |
| 2D hncNH-G | sample_1 | isotropic | sample_conditions_1 |
| 2D hncNH-A | sample_1 | isotropic | sample_conditions_1 |
| 2D hncNH-ST | sample_1 | isotropic | sample_conditions_1 |
| 2D cbcacoNH | sample_1 | isotropic | sample_conditions_1 |
| 2D HnCO | sample_1 | isotropic | sample_conditions_1 |
| 2D hnCOcanH | sample_1 | isotropic | sample_conditions_1 |
| 2D-HncoCA | sample_1 | isotropic | sample_conditions_1 |
| 2D hncoCAnH | sample_1 | isotropic | sample_conditions_1 |
| 2D-(HN)NH-G, A, ST | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v3.0 Beta, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 800 MHz
Related Database Links:
| BMRB | 15013 15144 |
| PDB | |
| DBJ | BAD52438 BAD93097 BAG57892 BAG62120 BAG72795 |
| EMBL | CAA29435 CAA32663 CAA62350 CAB53710 CAF90367 |
| GB | AAA51702 AAA51790 AAA52468 AAB41498 AAB60364 |
| REF | NP_001036003 NP_001090674 NP_001091958 NP_001107628 NP_001123910 |
| SP | P07751 P16086 P16546 Q13813 |
| TPG | DAA24188 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts