BMRB Entry 15536
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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/BMR15536
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Title: Solution structure of Engrailed homeodomain WT PubMed: 18274703
Deposition date: 2007-10-24 Original release date: 2008-02-22
Authors: Religa, Tomasz
Citation: Religa, Tomasz. "Comparison of multiple crystal structures with NMR data for engrailed homeodomain" J. Biomol. NMR 40, 189-202 (2008).
Assembly members:
EnHD, polymer, 61 residues, 7470.631 Da.
Natural source: Common Name: fruit fly Taxonomy ID: 7227 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Drosophila melanogaster
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
EnHD: MDEKRPRTAFSSEQLARLKR
EFNENRYLTERRRQQLSSEL
GLNEAQIKIWFQNKRAKIKK
S
- assigned_chemical_shifts
- coupling_constants
- order_parameters
| Data type | Count |
| 13C chemical shifts | 199 |
| 15N chemical shifts | 69 |
| 1H chemical shifts | 465 |
| coupling constants | 45 |
| order parameters | 58 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | EnHD | 1 |
Entities:
Entity 1, EnHD 61 residues - 7470.631 Da.
| 1 | MET | ASP | GLU | LYS | ARG | PRO | ARG | THR | ALA | PHE | ||||
| 2 | SER | SER | GLU | GLN | LEU | ALA | ARG | LEU | LYS | ARG | ||||
| 3 | GLU | PHE | ASN | GLU | ASN | ARG | TYR | LEU | THR | GLU | ||||
| 4 | ARG | ARG | ARG | GLN | GLN | LEU | SER | SER | GLU | LEU | ||||
| 5 | GLY | LEU | ASN | GLU | ALA | GLN | ILE | LYS | ILE | TRP | ||||
| 6 | PHE | GLN | ASN | LYS | ARG | ALA | LYS | ILE | LYS | LYS | ||||
| 7 | SER |
Samples:
U-15N: entity, [U-15N], 0.5 mM; d-sodium acetate 50 mM; sodium chloride 100 mM; H2O 93%; D2O 7%
U-D13C15N: entity, [U-13C; U-15N; ~70%-2H], 0.5 mM; d-sodium acetate 50 mM; sodium chloride 100 mM; H2O 93%; D2O 7%
278K: ionic strength: 145 mM; pH: 5.7; pressure: 1 atm; temperature: 278 K
298K: ionic strength: 145 mM; pH: 5.7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | U-15N | isotropic | 278K |
| 3D HNHA | U-15N | isotropic | 278K |
| 3D CBCA(CO)NH | U-D13C15N | isotropic | 278K |
| Sidechain relaxation experiments | U-D13C15N | isotropic | 298K |
| Backbone relaxation experiments | U-D13C15N | isotropic | 298K |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - chemical shift assignment
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
Tensor v2, Dosset, P.; Hus, J-C; Blackledge, M.; Marion - backbone dynamics data analysis
NMR spectrometers:
- Bruker DRX500 500 MHz
Related Database Links:
| PDB | |
| SWS | HMEN_DROME |
| BMRB | 15520 |
| DBJ | BAN82729 BAN82730 BAN82731 |
| EMBL | CAA25906 CAA28436 |
| GB | AAA65478 AAF58639 AAL39593 AAM68711 ACL84189 |
| PRF | 1102248B |
| REF | NP_523700 NP_725059 XP_001360552 XP_001958778 XP_001976053 |
| SP | P02836 P09145 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts