BMRB Entry 18478
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18478
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Title: P75/LEDGF PWWP Domain PubMed: 23396443
Deposition date: 2012-05-24 Original release date: 2013-02-27
Authors: Crowe, Brandon; Foster, Mark
Citation: Eidahl, Jocelyn; Crowe, Brandon; North, Justin; McKee, Christopher; Shkriabai, Nikoloz; Feng, Lei; Plumb, Matthew; Graham, Robert; Gorelick, Robert; Hess, Sonja; Poirier, Michael; Foster, Mark; Kvaratskhelia, Mamuka. "Structural basis for high-affinity binding of LEDGF PWWP to mononucleosomes." Nucleic Acids Res. 41, 3924-3936 (2013).
Assembly members:
entity, polymer, 97 residues, 11031.707 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: GPGSMTRDFKPGDLIFAKMK
GYPHWPARVDEVPDGAVKPP
TNKLPIFFFGTHETAFLGPK
DIFPYSENKEKYGKPNKRKG
FNEGLWEIDNNPKVKFS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 329 |
| 15N chemical shifts | 81 |
| 1H chemical shifts | 482 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | P75/LEDGF PWWP Domain | 1 |
Entities:
Entity 1, P75/LEDGF PWWP Domain 97 residues - 11031.707 Da.
Residues 1-4 are non native. They are left over from an affinity tag cleavage site used for purification.
| 1 | GLY | PRO | GLY | SER | MET | THR | ARG | ASP | PHE | LYS | ||||
| 2 | PRO | GLY | ASP | LEU | ILE | PHE | ALA | LYS | MET | LYS | ||||
| 3 | GLY | TYR | PRO | HIS | TRP | PRO | ALA | ARG | VAL | ASP | ||||
| 4 | GLU | VAL | PRO | ASP | GLY | ALA | VAL | LYS | PRO | PRO | ||||
| 5 | THR | ASN | LYS | LEU | PRO | ILE | PHE | PHE | PHE | GLY | ||||
| 6 | THR | HIS | GLU | THR | ALA | PHE | LEU | GLY | PRO | LYS | ||||
| 7 | ASP | ILE | PHE | PRO | TYR | SER | GLU | ASN | LYS | GLU | ||||
| 8 | LYS | TYR | GLY | LYS | PRO | ASN | LYS | ARG | LYS | GLY | ||||
| 9 | PHE | ASN | GLU | GLY | LEU | TRP | GLU | ILE | ASP | ASN | ||||
| 10 | ASN | PRO | LYS | VAL | LYS | PHE | SER |
Samples:
sample_1: entity, [U-99% 13C; U-99% 15N], 0.35 – 0.45 mM; HEPES 50 mM; sodium chloride 150 mM; beta-mercaptoethanol 2 mM; DSS 0.66 mM; H2O 95%; D2O 5%
sample_conditions_1: ionic strength: 0.35 M; pH: 7.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D (H)CC(CO)NH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement, structure solution
TALOS+, Cornilescu, Delaglio and Bax - data analysis
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRViewJ v8.2.1, Johnson, One Moon Scientific - chemical shift assignment, peak picking
xwinnmr, Bruker Biospin - collection
PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment
NMR spectrometers:
- Bruker DRX 600 MHz
- Bruker DRX 800 MHz
Related Database Links:
| BMRB | 18878 |
| PDB | |
| DBJ | BAB27707 BAE24079 BAE36388 BAE41251 BAJ78791 |
| EMBL | CAC34944 CAC34945 |
| GB | AAC25167 AAC97945 AAC97946 AAF25870 AAF25871 |
| REF | NP_001009372 NP_001075982 NP_001121689 NP_001137364 NP_001193405 |
| SP | O75475 Q66T72 Q812D1 Q8MJG1 Q99JF8 |
| TPG | DAA26946 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts