BMRB Entry 18912
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18912
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Title: The membran-proximal domain of ADAM17 PubMed: 23521534
Deposition date: 2012-12-20 Original release date: 2013-04-08
Authors: Dusterhoft, Stefan; Jung, Sascha; Hung, Chien-Wen; Thoely, Andreas; Sonnichsen, Frank; Grotzinger, Joachim; Lorenzen, Inken
Citation: Dusterhoft, Stefan; Jung, Sascha; Hung, Chien-Wen; Thoely, Andreas; Sonnichsen, Frank. "The membrane-proximal domain of ADAM17 represents the putative molecular switch of its shedding activity operated by protein-disulfide isomerase" J. Am. Chem. Soc. ., .-. (2013).
Assembly members:
entity, polymer, 62 residues, 7013.041 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):
entity: FCEREQQLESCACNETDNSC
KVCCRDLSGRCVPYVDAEQK
NLFLRKGKPCTVGFCDMNGK
CE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 8 |
| 15N chemical shifts | 63 |
| 1H chemical shifts | 338 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ADAM17 | 1 |
Entities:
Entity 1, ADAM17 62 residues - 7013.041 Da.
| 1 | PHE | CYS | GLU | ARG | GLU | GLN | GLN | LEU | GLU | SER | ||||
| 2 | CYS | ALA | CYS | ASN | GLU | THR | ASP | ASN | SER | CYS | ||||
| 3 | LYS | VAL | CYS | CYS | ARG | ASP | LEU | SER | GLY | ARG | ||||
| 4 | CYS | VAL | PRO | TYR | VAL | ASP | ALA | GLU | GLN | LYS | ||||
| 5 | ASN | LEU | PHE | LEU | ARG | LYS | GLY | LYS | PRO | CYS | ||||
| 6 | THR | VAL | GLY | PHE | CYS | ASP | MET | ASN | GLY | LYS | ||||
| 7 | CYS | GLU |
Samples:
sample_1: ADAM17, [U-100% 13C; U-100% 15N], 1.0 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.15 M; pH: 7.4; pressure: 1 atm; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Johnson, One Moon Scientific - data analysis, processing, processing
NMR spectrometers:
- Bruker Bruker Avance 600 600 MHz
Related Database Links:
| PDB | |
| GB | AAB51514 AAB51586 AAB53014 AAC39721 AAI36784 |
| REF | NP_001295481 NP_003174 XP_002758088 XP_002799185 XP_002812349 |
| SP | P78536 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts