BMRB Entry 50985
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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/BMR50985
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Title: 1H, 13C and 15N Chemical Shift Assignments of the R957C mutant from Arkadia (RNF111) E3 RING domain in solution PubMed: 35281275
Deposition date: 2021-06-17 Original release date: 2022-03-19
Authors: Marousis, Konstantinos; Birkou, Maria; Raptis, Vasilis; Chasapis, Christos; Episkopou, Vasso; Bentrop, Detlef; Spyroulias, Georgios
Citation: Birkou, Maria; Raptis, Vasilios; Marousis, Konstantinos; Tsevis, Athanasios; Bourikas, Kyriakos; Bentrop, Detlef; Episkopou, Vasso; Spyroulias, Georgios. "Impact of a Single Nucleotide Polymorphism on the 3D Protein Structure and Ubiquitination Activity of E3 Ubiquitin Ligase Arkadia" Front. Mol. Biosci. 9, 844129-844129 (2022).
Assembly members:
entity_1, polymer, 69 residues, 7897 Da.
entity_ZN, non-polymer, 65.409 Da.
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: pGEX
Entity Sequences (FASTA):
entity_1: MKQDGEEGTEEDTEEKCTIC
LSILEEGEDVRCLPCMHLFH
QVCVDQWLITNKKCPICRVD
IEAQLPSES
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 214 |
| 15N chemical shifts | 66 |
| 1H chemical shifts | 428 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | R957C | 1 |
| 2 | ZN1 | 2 |
| 3 | ZN2 | 2 |
Entities:
Entity 1, R957C 69 residues - 7897 Da.
| 1 | MET | LYS | GLN | ASP | GLY | GLU | GLU | GLY | THR | GLU | ||||
| 2 | GLU | ASP | THR | GLU | GLU | LYS | CYS | THR | ILE | CYS | ||||
| 3 | LEU | SER | ILE | LEU | GLU | GLU | GLY | GLU | ASP | VAL | ||||
| 4 | ARG | CYS | LEU | PRO | CYS | MET | HIS | LEU | PHE | HIS | ||||
| 5 | GLN | VAL | CYS | VAL | ASP | GLN | TRP | LEU | ILE | THR | ||||
| 6 | ASN | LYS | LYS | CYS | PRO | ILE | CYS | ARG | VAL | ASP | ||||
| 7 | ILE | GLU | ALA | GLN | LEU | PRO | SER | GLU | SER |
Entity 2, ZN1 - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: R957C, [U-99% 15N], 0.4 mM; DSS 0.25 mM; potassium phosphate 50 mM
sample_2: R957C, [U-98% 13C; U-98% 15N], 0.5 mM; DSS 0.25 mM; potassium phosphate 50 mM
sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 1D 1H | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(CO)CACB | sample_2 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_2 | 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 HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
Software:
CARA v1.5.5 - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE III 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts