BMRB Entry 36817
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36817
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry
Citation: Wei, Enwei; Ji, Donglei; Jia, Yanjie; Sun, Ze; Gao, Chunfeng; Zeng, Caroline; Wang, Chunyu; Yu, Miaomiao; Shang, Guanglei; Xie, Linying; Zhang, Wenju; Li, Yameng; Liang, Yingying; Ji, Bai; Yue, Yanzhu; Liu, Yahui; Zhou, Ming-Ming; Zeng, Lei. "BRD9 recognizes lactate-induced H3K18 lactylation to drive oncogenic chromatin remodeling in hepatocellular carcinoma." Cell Death Differ. ., .-. (2026).
PubMed: 41792243
Assembly members:
Bromodomain-containing protein 9, polymer, 117 residues, 13384.468 Da.
Histone H3.3C, polymer, 15 residues, 1572.827 Da.
Natural source: Common Name: human Taxonomy ID: 9606 Superkingdom: not available Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Bromodomain-containing protein 9: AENESTPIQQLLEHFLRQLQ
RKDPHGFFAFPVTDAIAPGY
SMIIKHPMDFGTMKDKIVAN
EYKSVTEFKADFKLMCDNAM
TYNRPDTVYYKLAKKILHAG
FKMMSKQAALLGNEDTA
Histone H3.3C: TGGKAPRXQLATKAA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 440 |
| 15N chemical shifts | 107 |
| 1H chemical shifts | 839 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_2 | 2 |
Entities:
Entity 1, entity_1 117 residues - 13384.468 Da.
| 1 | ALA | GLU | ASN | GLU | SER | THR | PRO | ILE | GLN | GLN | ||||
| 2 | LEU | LEU | GLU | HIS | PHE | LEU | ARG | GLN | LEU | GLN | ||||
| 3 | ARG | LYS | ASP | PRO | HIS | GLY | PHE | PHE | ALA | PHE | ||||
| 4 | PRO | VAL | THR | ASP | ALA | ILE | ALA | PRO | GLY | TYR | ||||
| 5 | SER | MET | ILE | ILE | LYS | HIS | PRO | MET | ASP | PHE | ||||
| 6 | GLY | THR | MET | LYS | ASP | LYS | ILE | VAL | ALA | ASN | ||||
| 7 | GLU | TYR | LYS | SER | VAL | THR | GLU | PHE | LYS | ALA | ||||
| 8 | ASP | PHE | LYS | LEU | MET | CYS | ASP | ASN | ALA | MET | ||||
| 9 | THR | TYR | ASN | ARG | PRO | ASP | THR | VAL | TYR | TYR | ||||
| 10 | LYS | LEU | ALA | LYS | LYS | ILE | LEU | HIS | ALA | GLY | ||||
| 11 | PHE | LYS | MET | MET | SER | LYS | GLN | ALA | ALA | LEU | ||||
| 12 | LEU | GLY | ASN | GLU | ASP | THR | ALA |
Entity 2, entity_2 15 residues - 1572.827 Da.
| 1 | THR | GLY | GLY | LYS | ALA | PRO | ARG | XRW | GLN | LEU | ||||
| 2 | ALA | THR | LYS | ALA | ALA |
Samples:
sample_1: Bromodomain-containing protein 9, [U-13C; U-15N], mM; Histone H3.3C, [U-13C], mM; DTT 2 mM; potassium chloride 2.7 mM; sodium chloride 500 mM; potassium phosphate 1.8 mM; sodium phosphate 10 mM; H2O 90%; D2O, [U-2H], 10%
sample_2: Bromodomain-containing protein 9, [U-13C; U-15N], mM; Histone H3.3C, [U-13C], mM; DTT 2 mM; potassium chloride 2.7 mM; sodium chloride 500 mM; potassium phosphate 1.8 mM; sodium phosphate 10 mM; D2O, [U-2H], 100%
sample_conditions_1: ionic strength: . Not defined; pH: 7.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(COCA)CB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_2 | isotropic | sample_conditions_1 |
| 3D filtered-1H-13C NOESY aliphatic | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(CO)CACB | sample_1 | isotropic | sample_conditions_1 |
Software:
ARIA, Linge, O'Donoghue and Nilges - refinement
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation
NMRView, Johnson, One Moon Scientific - chemical shift assignment
NMRView, Johnson, One Moon Scientific - peak picking
TopSpin, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Bruker AVANCE 800 MHz
- Bruker AVANCE 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks