BMRB Entry 6997
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR6997
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Title: Structural Insights of the Specificity and Catalysis of a Dimeric Viral SET Domain Histone H3 Lysine-27 Methyltransferase PubMed: 16603186
Deposition date: 2006-02-21 Original release date: 2007-02-07
Authors: Qian, Chengmin
Citation: Qian, Chengmin; Wang, Xueqi; Manzur, Karishma; Sachchidanand, .; Farooq, Amjad; Zeng, Lei; Wang, Rong; Zhou, Ming-Ming. "Structural Insights of the Specificity and Catalysis of a Viral Histone H3 Lysine 27 Methyltransferase." J. Mol. Biol. 359, 86-89 (2006).
Assembly members:
13C/15N vSET complex, polymer, 119 residues, Formula weight is not available
me_K27_H3_Peptide, polymer, 21 residues, Formula weight is not available
SAH, non-polymer, 384.411 Da.
Natural source: Common Name: Paramecium bursaria Taxonomy ID: 74790 Superkingdom: Viruses Kingdom: not available Genus/species: Paramecium bursaria
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
13C/15N vSET complex: MFNDRVIVKKSPLGGYGVFA
RKSFEKGELVEECLCIVRHN
DDWGTALEDYLFSRKNMSAM
ALGFGAIFNHSKDPNARHEL
TAGLKRMRIFTIKPIAIGEE
ITISYGDDYWLSRPRLTQN
me_K27_H3_Peptide: GKAPRKQLATKAARXSAPAT
G
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 364 |
| 15N chemical shifts | 110 |
| 1H chemical shifts | 829 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | vSET | 1 |
| 2 | me_K27_H3_Peptide | 2 |
| 3 | SAH | 3 |
Entities:
Entity 1, vSET 119 residues - Formula weight is not available
| 1 | MET | PHE | ASN | ASP | ARG | VAL | ILE | VAL | LYS | LYS | ||||
| 2 | SER | PRO | LEU | GLY | GLY | TYR | GLY | VAL | PHE | ALA | ||||
| 3 | ARG | LYS | SER | PHE | GLU | LYS | GLY | GLU | LEU | VAL | ||||
| 4 | GLU | GLU | CYS | LEU | CYS | ILE | VAL | ARG | HIS | ASN | ||||
| 5 | ASP | ASP | TRP | GLY | THR | ALA | LEU | GLU | ASP | TYR | ||||
| 6 | LEU | PHE | SER | ARG | LYS | ASN | MET | SER | ALA | MET | ||||
| 7 | ALA | LEU | GLY | PHE | GLY | ALA | ILE | PHE | ASN | HIS | ||||
| 8 | SER | LYS | ASP | PRO | ASN | ALA | ARG | HIS | GLU | LEU | ||||
| 9 | THR | ALA | GLY | LEU | LYS | ARG | MET | ARG | ILE | PHE | ||||
| 10 | THR | ILE | LYS | PRO | ILE | ALA | ILE | GLY | GLU | GLU | ||||
| 11 | ILE | THR | ILE | SER | TYR | GLY | ASP | ASP | TYR | TRP | ||||
| 12 | LEU | SER | ARG | PRO | ARG | LEU | THR | GLN | ASN |
Entity 2, me_K27_H3_Peptide 21 residues - Formula weight is not available
| 1 | GLY | LYS | ALA | PRO | ARG | LYS | GLN | LEU | ALA | THR | ||||
| 2 | LYS | ALA | ALA | ARG | MEK | SER | ALA | PRO | ALA | THR | ||||
| 3 | GLY |
Entity 3, SAH - C14 H20 N6 O5 S - 384.411 Da.
| 1 | SAH |
Samples:
sample_1: 13C/15N vSET complex, [U-13C; U-15N], 5.0 mM
conditions_1: pH: 6.5; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| HNCA | sample_1 | not available | conditions_1 |
| HN(CO)CA | sample_1 | not available | conditions_1 |
| HNCACB | sample_1 | not available | conditions_1 |
| HN(CO)CACB | sample_1 | not available | conditions_1 |
| (H)C(CO)NH-TOCSY | sample_1 | not available | conditions_1 |
| HCCH-COSY | sample_1 | not available | conditions_1 |
| 2D ROESY and TOCSY | sample_1 | not available | conditions_1 |
| 15N or 13C-edited 3D NOESY or 2D homonuclear NOESY | sample_1 | not available | conditions_1 |
| 3D 13C-F1 edited | sample_1 | not available | conditions_1 |
| 13C/15N-F3 filtered NOESY | sample_1 | not available | conditions_1 |
Software:
No software information available
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 700 MHz
- Bruker Avance 500 MHz
Download simulated HSQC data in one of the following formats:
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or all simulated shifts
SPARKY: Backbone
or all simulated shifts