BMRB Entry 18222
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18222
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Title: Backbone structure of human membrane protein TMEM141 PubMed: 22609626
Deposition date: 2012-01-26 Original release date: 2012-05-22
Authors: Bayrhuber, Monika; Klammt, Christian; Maslennikov, Innokentiy; Riek, Roland; Choe, Senyon
Citation: Klammt, Christian; Maslennikov, Innokentiy; Bayrhuber, Monika; Eichmann, Cedric; Vajpai, Navratna; Chiu, Ellis Jeremy Chua; Blain, Katherine; Esquivies, Luis; Kwon, June Hyun Jung; Balana, Bartosz; Pieper, Ursula; Sali, Andrej; Slesinger, Paul; Kwiatkowski, Witek; Riek, Roland; Choe, Senyon. "Facile backbone structure determination of human membrane proteins by NMR spectroscopy." Nat. Methods 9, 834-839 (2012).
Assembly members:
entity, polymer, 108 residues, 11886.771 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: cell free synthesis Host organism: E. coli - cell free
Entity Sequences (FASTA):
entity: MVNLGLSRVDDAVAAKHPGL
GEYAACQSHAFMKGVFTFVT
GTGMAFGLQMFIQRKFPYPL
QWSLLVAVVAGSVVSYGVTR
VESEKCNNLWLFLETGQLPK
DRSTDQRS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 197 |
| 15N chemical shifts | 103 |
| 1H chemical shifts | 311 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | TMEM141 | 1 |
Entities:
Entity 1, TMEM141 108 residues - 11886.771 Da.
| 1 | MET | VAL | ASN | LEU | GLY | LEU | SER | ARG | VAL | ASP | ||||
| 2 | ASP | ALA | VAL | ALA | ALA | LYS | HIS | PRO | GLY | LEU | ||||
| 3 | GLY | GLU | TYR | ALA | ALA | CYS | GLN | SER | HIS | ALA | ||||
| 4 | PHE | MET | LYS | GLY | VAL | PHE | THR | PHE | VAL | THR | ||||
| 5 | GLY | THR | GLY | MET | ALA | PHE | GLY | LEU | GLN | MET | ||||
| 6 | PHE | ILE | GLN | ARG | LYS | PHE | PRO | TYR | PRO | LEU | ||||
| 7 | GLN | TRP | SER | LEU | LEU | VAL | ALA | VAL | VAL | ALA | ||||
| 8 | GLY | SER | VAL | VAL | SER | TYR | GLY | VAL | THR | ARG | ||||
| 9 | VAL | GLU | SER | GLU | LYS | CYS | ASN | ASN | LEU | TRP | ||||
| 10 | LEU | PHE | LEU | GLU | THR | GLY | GLN | LEU | PRO | LYS | ||||
| 11 | ASP | ARG | SER | THR | ASP | GLN | ARG | SER |
Samples:
sample_N: TMEM141, [U-15N], 0.2 mM; MES-Bis-TRIS 20 mM; LMPG 3%; H2O 95%; D2O 5%
sample_NC: TMEM141, [U-15N; U-13C], 0.2 mM; MES-Bis-TRIS 20 mM; LMPG 3%; H2O 95%; D2O 5%
sample_NCD: TMEM141, [U-15N; U-13C; U-2H], 0.2 mM; MES-Bis-TRIS 20 mM; LMPG 3%; H2O 95%; D2O 5%
samples_SL: TMEM141, [U-15N], 0.2 mM; MES-Bis-TRIS 20 mM; LMPG 3%; H2O 95%; D2O 5%
samples_DL: TMEM141, [U-15N], 0.2 mM; MES-Bis-TRIS 20 mM; LMPG 3%; H2O 95%; D2O 5%
sample_conditions_1: ionic strength: 60 mM; pH: 6.0; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_N | isotropic | sample_conditions_1 |
| 3D HNCA | sample_NCD | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_NCD | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_NCD | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_N | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | samples_SL | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | samples_DL | isotropic | sample_conditions_1 |
| 3D HNCA | sample_NC | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_NC | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis, processing
Molmol, Koradi, Billeter and Wuthrich - structure analysis, structure visualization
SPARKY, Goddard - chemical shift assignment, data analysis
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker DRX 700 MHz
Related Database Links:
| PDB | |
| GB | AAH07834 ADQ32379 AIC52656 EAW88275 EAW88277 |
| REF | NP_116317 XP_001162853 XP_002820449 XP_003279836 XP_003817020 |
| SP | Q96I45 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts