BMRB Entry 50299
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50299
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Title: Identification of Phenothiazine Derivatives as UHM-Binding Inhibitors of Early Spliceosome Assembly PubMed: 33159082
Deposition date: 2020-05-26 Original release date: 2020-09-28
Authors: Jagtap, Pravin Kumar Ankush; Kubelka, Tomas; Soni, Komal; Sattler, Michael
Citation: Jagtap, Pravin Kumar Ankush; Kubelka, Tomas; Soni, Komal; Will, Cindy; Garg, Divita; Sippel, Claudia; Kapp, Tobias; Potukuchi, Harish Kumar; Schorpp, Kenji; Hadian, Kamyar; Kessler, Horst; Luhrmann, Reinhard; Hausch, Felix; Bach, Thorsten; Sattler, Michael. "Identification of phenothiazine derivatives as UHM-binding inhibitors of early spliceosome assembly" Nat. Commun. 11, 5621-5621 (2020).
Assembly members:
entity_1, polymer, 105 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: pET-M
Entity Sequences (FASTA):
entity_1: GAMGKCPTKVVLLRNMVGAG
EVDEDLEVETKEECEKYGKV
GKCVIFEIPGAPDDEAVRIF
LEFERVESAIKAVVDLNGRY
FGGRVVKACFYNLDKFRVLD
LAEQV
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 63 |
| 15N chemical shifts | 100 |
| 1H chemical shifts | 216 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SPF45 UHM domain | 1 |
Entities:
Entity 1, SPF45 UHM domain 105 residues - Formula weight is not available
| 1 | GLY | ALA | MET | GLY | LYS | CYS | PRO | THR | LYS | VAL | ||||
| 2 | VAL | LEU | LEU | ARG | ASN | MET | VAL | GLY | ALA | GLY | ||||
| 3 | GLU | VAL | ASP | GLU | ASP | LEU | GLU | VAL | GLU | THR | ||||
| 4 | LYS | GLU | GLU | CYS | GLU | LYS | TYR | GLY | LYS | VAL | ||||
| 5 | GLY | LYS | CYS | VAL | ILE | PHE | GLU | ILE | PRO | GLY | ||||
| 6 | ALA | PRO | ASP | ASP | GLU | ALA | VAL | ARG | ILE | PHE | ||||
| 7 | LEU | GLU | PHE | GLU | ARG | VAL | GLU | SER | ALA | ILE | ||||
| 8 | LYS | ALA | VAL | VAL | ASP | LEU | ASN | GLY | ARG | TYR | ||||
| 9 | PHE | GLY | GLY | ARG | VAL | VAL | LYS | ALA | CYS | PHE | ||||
| 10 | TYR | ASN | LEU | ASP | LYS | PHE | ARG | VAL | LEU | ASP | ||||
| 11 | LEU | ALA | GLU | GLN | VAL |
Samples:
sample_1: SPF45, [U-100% 15N], 50 uM; 7, 8 dimethoxy perphenazine 100 uM
sample_2: SPF45, [U-100% 13C; U-100% 15N], 650 uM; 7, 8 dimethoxy perphenazine 1.3 mM
sample_conditions_1: ionic strength: 0.15 M; pH: 6.8; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_2 | isotropic | sample_conditions_1 |
Software:
TOPSPIN - collection
CcpNmr Analysis - chemical shift assignment, data analysis
HADDOCK - structure solution
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts