BMRB Entry 18582
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18582
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Title: 1H, 13C, 15N chemical shifts of gp78CUE bound to ubiquitin AND backbone amide shifts of ubiquitin bound to gp78CUE PubMed: 23123110
Deposition date: 2012-07-09 Original release date: 2012-11-19
Authors: Liu, Shan; Chen, Yinghua; Huang, Tao; Tarasov, Sergey; King, Aaren; Li, Jess; Weissman, Allan; Byrd, Robert; Das, Ranabir
Citation: Liu, Shan; Chen, Yinghua; Li, Jess; Huang, Tao; Tarasov, Sergey; King, Aaren; Weissman, Allan; Byrd, R. Andrew; Das, Ranabir. "Promiscuous interactions of gp78 E3 ligase CUE domain with polyubiquitin chains." Structure 20, 2138-2150 (2012).
Assembly members:
ubiquitin, polymer, 76 residues, 8576.914 Da.
gp78CUE, polymer, 52 residues, 5966.808 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
Entity Sequences (FASTA):
ubiquitin: MQIFVKTLTGKTITLEVEPS
DTIENVKAKIQDKEGIPPDQ
QRLIFAGKQLEDGRTLSDYN
IQKESTLHLVLRLRGG
gp78CUE: SNSQLNAMAHQIQEMFPQVP
YHLVLQDLQLTRSVEITTDN
ILEGRIQVPFPT
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 228 |
| 15N chemical shifts | 121 |
| 1H chemical shifts | 443 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ubiquitin | 1 |
| 2 | gp78CUE | 2 |
Entities:
Entity 1, ubiquitin 76 residues - 8576.914 Da.
| 1 | MET | GLN | ILE | PHE | VAL | LYS | THR | LEU | THR | GLY | ||||
| 2 | LYS | THR | ILE | THR | LEU | GLU | VAL | GLU | PRO | SER | ||||
| 3 | ASP | THR | ILE | GLU | ASN | VAL | LYS | ALA | LYS | ILE | ||||
| 4 | GLN | ASP | LYS | GLU | GLY | ILE | PRO | PRO | ASP | GLN | ||||
| 5 | GLN | ARG | LEU | ILE | PHE | ALA | GLY | LYS | GLN | LEU | ||||
| 6 | GLU | ASP | GLY | ARG | THR | LEU | SER | ASP | TYR | ASN | ||||
| 7 | ILE | GLN | LYS | GLU | SER | THR | LEU | HIS | LEU | VAL | ||||
| 8 | LEU | ARG | LEU | ARG | GLY | GLY |
Entity 2, gp78CUE 52 residues - 5966.808 Da.
| 1 | SER | ASN | SER | GLN | LEU | ASN | ALA | MET | ALA | HIS | ||||
| 2 | GLN | ILE | GLN | GLU | MET | PHE | PRO | GLN | VAL | PRO | ||||
| 3 | TYR | HIS | LEU | VAL | LEU | GLN | ASP | LEU | GLN | LEU | ||||
| 4 | THR | ARG | SER | VAL | GLU | ILE | THR | THR | ASP | ASN | ||||
| 5 | ILE | LEU | GLU | GLY | ARG | ILE | GLN | VAL | PRO | PHE | ||||
| 6 | PRO | THR |
Samples:
sample_1: TRIS 50 mM; sodium chloride 50 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 7.2; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY, Goddard - chemical shift assignment, peak picking
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CNS, Alexandre Bonvin - structure solution
NMR spectrometers:
- Bruker INOVA 600 MHz
- Bruker INOVA 700 MHz
- Varian INOVA 600 MHz
- Varian INOVA 800 MHz
Related Database Links:
| BMRB | 11505 11547 15047 15410 15689 15907 16228 16582 16626 16895 17181 17439 17769 17919 18583 18584 18610 18611 18737 19406 19412 25070 25123 25601 26604 4245 4375 18581 18583 18584 |
| PDB | |
| DBJ | BAA03983 BAA09860 BAA11842 BAA11843 BAA23486 BAE01277 BAE34049 BAE41974 BAK63135 |
| EMBL | CAA25706 CAA26488 CAA28495 CAA30183 CAA30815 |
| GB | AAA02769 AAA28154 AAA28997 AAA28998 AAA28999 AAD56721 AAD56722 AAH03256 AAH17043 AAH34538 |
| PIR | I50437 I51568 I65237 JN0790 S13928 |
| PRF | 0412265A 1101405A 1212243A 1212243B 1212243C |
| REF | NP_001005123 NP_001006688 NP_001009117 NP_001009202 NP_001009286 NP_001039439 NP_001135 NP_001267243 NP_035917 XP_001091030 |
| SP | P0C273 P0C275 P0C276 P0CG47 P0CG48 Q9R049 Q9UKV5 |
| TPD | FAA00319 |
| TPE | CEL68433 CEL70397 CEL75964 CEL78064 |
| TPG | DAA18802 DAA20663 DAA20672 DAA24675 DAA28295 DAA20037 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts