BMRB Entry 16694
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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/BMR16694
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NMR-STAR v3 text file.
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Title: Solution Structure of the Second Bromodomain of Human Polybromo in complex with an acetylated peptide from Histone 3 PubMed: 20368734
Deposition date: 2010-01-27 Original release date: 2010-05-05
Authors: Charlop-Powers, Zachary; Zhang, Qiang; Zeng, Lei
Citation: Charlop-Powers, Zachary; Zeng, Lei; Zhang, Qiang; Zhou, Ming-Ming. "Structural insights into selective histone H3 recognition by the human Polybromo bromodomain 2." Cell Res. 20, 529-538 (2010).
Assembly members:
H3_Peptide, polymer, 20 residues, 2061.412 Da.
Polybromo_Bromdomain2, polymer, 121 residues, 13676.851 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: obtained from a vendor
Entity Sequences (FASTA):
H3_Peptide: ARTKQTARKSTGGKAPRKQL
Polybromo_Bromdomain2: STEGSSPAYLKEILEQLLEA
IVVATNPSGRLISELFQKLP
SKVQYPDYYAIIKEPIDLKT
IAQRIQNGSYKSIHAMAKDI
DLLAKNAKTYNEPGSQVFKD
ANSIKKIFYMKKAEIEHHEM
A
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 379 |
| 15N chemical shifts | 113 |
| 1H chemical shifts | 844 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | H3_Peptide | 1 |
| 2 | Polybromo_Bromdomain2 | 2 |
Entities:
Entity 1, H3_Peptide 20 residues - 2061.412 Da.
| 1 | ALA | ARG | THR | LYS | GLN | THR | ALA | ARG | LYS | SER | |
| 2 | THR | GLY | GLY | LYS | ALA | PRO | ARG | LYS | GLN | LEU |
Entity 2, Polybromo_Bromdomain2 121 residues - 13676.851 Da.
| 1 | SER | THR | GLU | GLY | SER | SER | PRO | ALA | TYR | LEU | ||||
| 2 | LYS | GLU | ILE | LEU | GLU | GLN | LEU | LEU | GLU | ALA | ||||
| 3 | ILE | VAL | VAL | ALA | THR | ASN | PRO | SER | GLY | ARG | ||||
| 4 | LEU | ILE | SER | GLU | LEU | PHE | GLN | LYS | LEU | PRO | ||||
| 5 | SER | LYS | VAL | GLN | TYR | PRO | ASP | TYR | TYR | ALA | ||||
| 6 | ILE | ILE | LYS | GLU | PRO | ILE | ASP | LEU | LYS | THR | ||||
| 7 | ILE | ALA | GLN | ARG | ILE | GLN | ASN | GLY | SER | TYR | ||||
| 8 | LYS | SER | ILE | HIS | ALA | MET | ALA | LYS | ASP | ILE | ||||
| 9 | ASP | LEU | LEU | ALA | LYS | ASN | ALA | LYS | THR | TYR | ||||
| 10 | ASN | GLU | PRO | GLY | SER | GLN | VAL | PHE | LYS | ASP | ||||
| 11 | ALA | ASN | SER | ILE | LYS | LYS | ILE | PHE | TYR | MET | ||||
| 12 | LYS | LYS | ALA | GLU | ILE | GLU | HIS | HIS | GLU | MET | ||||
| 13 | ALA |
Samples:
sample_3: Polybromo Bromdomain2, [U-100% 13C; U-100% 15N], 0.8 mM; H3 Peptide 8 mM; D2O 100%
sample_1: Polybromo Bromdomain2, [U-100% 15N], 0.5 mM; H3 Peptide 2.5 mM; H2O 90%; D2O 10%
sample_2: Polybromo Bromdomain2, [U-100% 13C; U-100% 15N], 0.5 mM; H3 Peptide 2.5 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.1 M; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-13C NOESY | sample_3 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
ARIA v2.2, Linge, O'Donoghue and Nilges - structure solution
CNS v2.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView, Johnson, One Moon Scientific - chemical shift assignment
NMR spectrometers:
- Bruker DRX 500 MHz
- Bruker Avance 800 MHz
Related Database Links:
| BMRB | 18385 |
| PDB | |
| DBJ | BAA20144 BAA21441 BAA31218 BAA81840 BAA81841 |
| EMBL | CAA17819 CAA23780 CAA24375 CAA24647 CAA24952 |
| GB | AAA19824 AAA29441 AAA29965 AAA30003 AAA30026 |
| PIR | A56580 A56618 A56654 I37460 I48113 |
| PRF | 0710252A 0806228A 1202262D 1202289A 1303352A |
| REF | NP_001005101 NP_001005464 NP_001013074 NP_001013721 NP_001014411 XP_008563175 |
| SP | A1CP80 A1D240 A2QRR5 A2XHJ3 A2Y533 |
| TPE | CBF88887 CEL66806 CEL70515 CEL74279 CEL78184 |
| TPG | DAA07131 DAA10514 DAA16173 DAA16175 DAA16178 |
| UNP | Q86U86 |
| AlphaFold | Q9H314 A1CP80 A2Y533 A2XHJ3 A2QRR5 A1D240 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts