BMRB Entry 25142
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25142
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Title: Solution structure of Hox homeodomain PubMed: 25707357
Deposition date: 2014-08-11 Original release date: 2015-09-14
Authors: Kim, Hyun-Hwi; Park, Sung Jean; Han, Jung-Hwa; Lee, Bong-Jin
Citation: Kim, Hyun-Hwi; Park, Sung Jean; Han, Jung-Hwa; Pathak, Chinar; Cheong, Hae-Kap; Lee, Bong-Jin. "Structural insight into the interaction between the Hox and HMGB1 and understanding of the HMGB1-enhancing effect of Hox-DNA binding" Biochim. Biophys. Acta 1854, 449-459 (2015).
Assembly members:
entity, polymer, 68 residues, 8677.323 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: ANWIHARSTRKKRCPYTKYQ
TLELEKEFLFNMYLTRDRRY
EVARVLNLTERQVKIWFQNR
RMKMKKMN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 285 |
| 15N chemical shifts | 71 |
| 1H chemical shifts | 417 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Hox homeodomain | 1 |
Entities:
Entity 1, Hox homeodomain 68 residues - 8677.323 Da.
| 1 | ALA | ASN | TRP | ILE | HIS | ALA | ARG | SER | THR | ARG | ||||
| 2 | LYS | LYS | ARG | CYS | PRO | TYR | THR | LYS | TYR | GLN | ||||
| 3 | THR | LEU | GLU | LEU | GLU | LYS | GLU | PHE | LEU | PHE | ||||
| 4 | ASN | MET | TYR | LEU | THR | ARG | ASP | ARG | ARG | TYR | ||||
| 5 | GLU | VAL | ALA | ARG | VAL | LEU | ASN | LEU | THR | GLU | ||||
| 6 | ARG | GLN | VAL | LYS | ILE | TRP | PHE | GLN | ASN | ARG | ||||
| 7 | ARG | MET | LYS | MET | LYS | LYS | MET | ASN |
Samples:
sample_1: MES, [U-100% 13C; U-100% 15N], 1 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.05 M; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
NMR spectrometers:
- Bruker DRX 900 MHz
- Bruker DRX 800 MHz
Related Database Links:
| BMRB | 17407 |
| PDB | |
| DBJ | BAA86253 BAB28077 BAC37378 BAE22140 BAE26045 |
| EMBL | CAA30487 CAA33528 CAA39026 CAA42016 CAA44542 |
| GB | AAA37856 AAB04756 AAB68680 AAD15960 AAD15961 |
| PIR | C45187 D45187 |
| REF | NP_001017256 NP_001094377 NP_001132998 NP_001133005 NP_001133012 |
| SP | B5DFK3 O42502 P09633 P28356 P28357 |
| TPG | DAA30041 DAA32777 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts