BMRB Entry 50806
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50806
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Morrison, Emma; Baweja, Lokesh; Poirier, Michael; Wereszczynski, Jeff; Musselman, Catherine. "Nucleosome composition regulates the histone H3 tail conformational ensemble and accessibility" Nucleic Acids Res. 49, 4750-4767 (2021).
PubMed: 33856458
Assembly members:
entity_1, polymer, 135 residues, Formula weight is not available
entity_2, polymer, 102 residues, Formula weight is not available
entity_3, polymer, 147 residues, Formula weight is not available
entity_4, polymer, 147 residues, Formula weight is not available
entity_5, polymer, 129 residues, Formula weight is not available
entity_6, polymer, 125 residues, Formula weight is not available
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 Vector: pET3a
Entity Sequences (FASTA):
entity_1: ARTKQTARKSTGGKAPRKQL
ATKAARKSAPATGGVKKPHR
YRPGTVALREIRRYQKSTEL
LIRKLPFQRLVREIAQDFKT
DLRFQSSAVMALQEASEAYL
VGLFEDTNLAAIHAKRVTIM
PKDIQLARRIRGERA
entity_2: SGRGKGGKGLGKGGAKRHRK
VLRDNIQGITKPAIRRLARR
GGVKRISGLIYEETRGVLKV
FLENVIRDAVTYTEHAKRKT
VTAMDVVYALKRQGRTLYGF
GG
entity_3: ATCGAGAATCCCGGTGCCGA
GGCCGCTCAATTGGTCGTAG
ACAGCTCTAGCACCGCTTAA
ACGCACGTACGCGCTGTCCC
CCGCGTTTTAACCGCCAAGG
GGATTACTCCCTAGTCTCCA
GGCACGTGTCAGATATATAC
ATCCGAT
entity_4: ATCGGATGTATATATCTGAC
ACGTGCCTGGAGACTAGGGA
GTAATCCCCTTGGCGGTTAA
AACGCGGGGGACAGCGCGTA
CGTGCGTTTAAGCGGTGCTA
GAGCTGTCTACGACCAATTG
AGCGGCCTCGGCACCGGGAT
TCTCGAT
entity_5: SGRGKQGGKARAKAKTRSSR
AGLQFPVGRVHRLLRKGNYA
ERVGAGAPVYLAAVLEYLTA
EILELAGNAARDNKKTRIIP
RHLQLAIRNDEELNKLLGKV
TIAQGGVLPNIQAVLLPKKT
ESHHKAKGK
entity_6: PEPAKSAPAPKKGSKKAVTK
AQKKDGKKRKRSRKESYSVY
VYKVLKQVHPDTGISSKAMG
IMNSFVNDIFERIAGEASRL
AHYNKRSTITSREIQTAVRL
LLPGELAKHAVSEGTKAVTK
YTSSK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 66 |
| 15N chemical shifts | 32 |
| 1H chemical shifts | 32 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | H3, 1 | 1 |
| 2 | H3, 2 | 1 |
| 3 | H4, 1 | 2 |
| 4 | H4, 2 | 2 |
| 5 | DNA_1 | 3 |
| 6 | DNA_2 | 4 |
| 7 | H2A, 1 | 5 |
| 8 | H2A, 2 | 5 |
| 9 | H2B, 1 | 6 |
| 10 | H2B, 2 | 6 |
Entities:
Entity 1, H3, 1 135 residues - Formula weight is not available
| 1 | ALA | ARG | THR | LYS | GLN | THR | ALA | ARG | LYS | SER | ||||
| 2 | THR | GLY | GLY | LYS | ALA | PRO | ARG | LYS | GLN | LEU | ||||
| 3 | ALA | THR | LYS | ALA | ALA | ARG | LYS | SER | ALA | PRO | ||||
| 4 | ALA | THR | GLY | GLY | VAL | LYS | LYS | PRO | HIS | ARG | ||||
| 5 | TYR | ARG | PRO | GLY | THR | VAL | ALA | LEU | ARG | GLU | ||||
| 6 | ILE | ARG | ARG | TYR | GLN | LYS | SER | THR | GLU | LEU | ||||
| 7 | LEU | ILE | ARG | LYS | LEU | PRO | PHE | GLN | ARG | LEU | ||||
| 8 | VAL | ARG | GLU | ILE | ALA | GLN | ASP | PHE | LYS | THR | ||||
| 9 | ASP | LEU | ARG | PHE | GLN | SER | SER | ALA | VAL | MET | ||||
| 10 | ALA | LEU | GLN | GLU | ALA | SER | GLU | ALA | TYR | LEU | ||||
| 11 | VAL | GLY | LEU | PHE | GLU | ASP | THR | ASN | LEU | ALA | ||||
| 12 | ALA | ILE | HIS | ALA | LYS | ARG | VAL | THR | ILE | MET | ||||
| 13 | PRO | LYS | ASP | ILE | GLN | LEU | ALA | ARG | ARG | ILE | ||||
| 14 | ARG | GLY | GLU | ARG | ALA |
Entity 2, H4, 1 102 residues - Formula weight is not available
| 1 | SER | GLY | ARG | GLY | LYS | GLY | GLY | LYS | GLY | LEU | ||||
| 2 | GLY | LYS | GLY | GLY | ALA | LYS | ARG | HIS | ARG | LYS | ||||
| 3 | VAL | LEU | ARG | ASP | ASN | ILE | GLN | GLY | ILE | THR | ||||
| 4 | LYS | PRO | ALA | ILE | ARG | ARG | LEU | ALA | ARG | ARG | ||||
| 5 | GLY | GLY | VAL | LYS | ARG | ILE | SER | GLY | LEU | ILE | ||||
| 6 | TYR | GLU | GLU | THR | ARG | GLY | VAL | LEU | LYS | VAL | ||||
| 7 | PHE | LEU | GLU | ASN | VAL | ILE | ARG | ASP | ALA | VAL | ||||
| 8 | THR | TYR | THR | GLU | HIS | ALA | LYS | ARG | LYS | THR | ||||
| 9 | VAL | THR | ALA | MET | ASP | VAL | VAL | TYR | ALA | LEU | ||||
| 10 | LYS | ARG | GLN | GLY | ARG | THR | LEU | TYR | GLY | PHE | ||||
| 11 | GLY | GLY |
Entity 3, DNA_1 147 residues - Formula weight is not available
| 1 | DA | DT | DC | DG | DA | DG | DA | DA | DT | DC | ||||
| 2 | DC | DC | DG | DG | DT | DG | DC | DC | DG | DA | ||||
| 3 | DG | DG | DC | DC | DG | DC | DT | DC | DA | DA | ||||
| 4 | DT | DT | DG | DG | DT | DC | DG | DT | DA | DG | ||||
| 5 | DA | DC | DA | DG | DC | DT | DC | DT | DA | DG | ||||
| 6 | DC | DA | DC | DC | DG | DC | DT | DT | DA | DA | ||||
| 7 | DA | DC | DG | DC | DA | DC | DG | DT | DA | DC | ||||
| 8 | DG | DC | DG | DC | DT | DG | DT | DC | DC | DC | ||||
| 9 | DC | DC | DG | DC | DG | DT | DT | DT | DT | DA | ||||
| 10 | DA | DC | DC | DG | DC | DC | DA | DA | DG | DG | ||||
| 11 | DG | DG | DA | DT | DT | DA | DC | DT | DC | DC | ||||
| 12 | DC | DT | DA | DG | DT | DC | DT | DC | DC | DA | ||||
| 13 | DG | DG | DC | DA | DC | DG | DT | DG | DT | DC | ||||
| 14 | DA | DG | DA | DT | DA | DT | DA | DT | DA | DC | ||||
| 15 | DA | DT | DC | DC | DG | DA | DT |
Entity 4, DNA_2 147 residues - Formula weight is not available
| 1 | DA | DT | DC | DG | DG | DA | DT | DG | DT | DA | ||||
| 2 | DT | DA | DT | DA | DT | DC | DT | DG | DA | DC | ||||
| 3 | DA | DC | DG | DT | DG | DC | DC | DT | DG | DG | ||||
| 4 | DA | DG | DA | DC | DT | DA | DG | DG | DG | DA | ||||
| 5 | DG | DT | DA | DA | DT | DC | DC | DC | DC | DT | ||||
| 6 | DT | DG | DG | DC | DG | DG | DT | DT | DA | DA | ||||
| 7 | DA | DA | DC | DG | DC | DG | DG | DG | DG | DG | ||||
| 8 | DA | DC | DA | DG | DC | DG | DC | DG | DT | DA | ||||
| 9 | DC | DG | DT | DG | DC | DG | DT | DT | DT | DA | ||||
| 10 | DA | DG | DC | DG | DG | DT | DG | DC | DT | DA | ||||
| 11 | DG | DA | DG | DC | DT | DG | DT | DC | DT | DA | ||||
| 12 | DC | DG | DA | DC | DC | DA | DA | DT | DT | DG | ||||
| 13 | DA | DG | DC | DG | DG | DC | DC | DT | DC | DG | ||||
| 14 | DG | DC | DA | DC | DC | DG | DG | DG | DA | DT | ||||
| 15 | DT | DC | DT | DC | DG | DA | DT |
Entity 5, H2A, 1 129 residues - Formula weight is not available
| 1 | SER | GLY | ARG | GLY | LYS | GLN | GLY | GLY | LYS | ALA | ||||
| 2 | ARG | ALA | LYS | ALA | LYS | THR | ARG | SER | SER | ARG | ||||
| 3 | ALA | GLY | LEU | GLN | PHE | PRO | VAL | GLY | ARG | VAL | ||||
| 4 | HIS | ARG | LEU | LEU | ARG | LYS | GLY | ASN | TYR | ALA | ||||
| 5 | GLU | ARG | VAL | GLY | ALA | GLY | ALA | PRO | VAL | TYR | ||||
| 6 | LEU | ALA | ALA | VAL | LEU | GLU | TYR | LEU | THR | ALA | ||||
| 7 | GLU | ILE | LEU | GLU | LEU | ALA | GLY | ASN | ALA | ALA | ||||
| 8 | ARG | ASP | ASN | LYS | LYS | THR | ARG | ILE | ILE | PRO | ||||
| 9 | ARG | HIS | LEU | GLN | LEU | ALA | ILE | ARG | ASN | ASP | ||||
| 10 | GLU | GLU | LEU | ASN | LYS | LEU | LEU | GLY | LYS | VAL | ||||
| 11 | THR | ILE | ALA | GLN | GLY | GLY | VAL | LEU | PRO | ASN | ||||
| 12 | ILE | GLN | ALA | VAL | LEU | LEU | PRO | LYS | LYS | THR | ||||
| 13 | GLU | SER | HIS | HIS | LYS | ALA | LYS | GLY | LYS |
Entity 6, H2B, 1 125 residues - Formula weight is not available
| 1 | PRO | GLU | PRO | ALA | LYS | SER | ALA | PRO | ALA | PRO | ||||
| 2 | LYS | LYS | GLY | SER | LYS | LYS | ALA | VAL | THR | LYS | ||||
| 3 | ALA | GLN | LYS | LYS | ASP | GLY | LYS | LYS | ARG | LYS | ||||
| 4 | ARG | SER | ARG | LYS | GLU | SER | TYR | SER | VAL | TYR | ||||
| 5 | VAL | TYR | LYS | VAL | LEU | LYS | GLN | VAL | HIS | PRO | ||||
| 6 | ASP | THR | GLY | ILE | SER | SER | LYS | ALA | MET | GLY | ||||
| 7 | ILE | MET | ASN | SER | PHE | VAL | ASN | ASP | ILE | PHE | ||||
| 8 | GLU | ARG | ILE | ALA | GLY | GLU | ALA | SER | ARG | LEU | ||||
| 9 | ALA | HIS | TYR | ASN | LYS | ARG | SER | THR | ILE | THR | ||||
| 10 | SER | ARG | GLU | ILE | GLN | THR | ALA | VAL | ARG | LEU | ||||
| 11 | LEU | LEU | PRO | GLY | GLU | LEU | ALA | LYS | HIS | ALA | ||||
| 12 | VAL | SER | GLU | GLY | THR | LYS | ALA | VAL | THR | LYS | ||||
| 13 | TYR | THR | SER | SER | LYS |
Samples:
sample_1: entity_1, [U-13C; U-15N], 320 uM; entity_2 320 uM; entity_3 320 uM; entity_4 320 uM; entity_5 320 uM; entity_6 320 uM; MOPS 20 mM; NaOH 7 mM; EDTA 1 mM; DTT 1 mM
sample_conditions_1: pH: 7; temperature: 318 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
VNMR - collection
NMRPipe - processing
ANALYSIS v2.4 - chemical shift assignment
NMR spectrometers:
- Varian Unity Inova 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks