BMRB Entry 26805
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26805
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
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Citation: Wang, Shenlin; Ing, Christopher; Emami, Sanaz; Jiang, Yunjiang; Liang, Hongjun; Pomes, Regis; Brown, Leonid; Ladizhansky, Vladimir. "Structure and Dynamics of Extracellular Loops in Human Aquaporin-1 from Solid-State NMR and Molecular Dynamics" J Phys Chem B. 120, 9887-9902 (2016).
PubMed: 27583975
Assembly members:
human_aquaporin_1, polymer, 292 residues, Formula weight is not available
Natural source: Common Name: humans Taxonomy ID: 9606 Superkingdom: Eukaryoata Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Pichia pastoris Vector: pPICZaA
Entity Sequences (FASTA):
human_aquaporin_1: masefkkklfwravvaefla
ttlfvfisigsalgfkypvg
nnqtavqdnvkvslafglsi
atlaqsvghisgahlnpavt
lglllscqisifralmyiia
qcvgaivatailsgitsslt
gnslgrndladgvnsgqglg
ieiigtlqlvlcvlattdrr
rrdlggsaplaiglsvalgh
llaidytgcginparsfgsa
vithnfsnhwifwvgpfigg
alavliydfilaprssdltd
rvkvwtsgqveeydldaddi
nsrvemkpkaleqkliseed
lnsavdhhhhhh
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 744 |
| 15N chemical shifts | 207 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | human aquaporin 1 | 1 |
Entities:
Entity 1, human aquaporin 1 292 residues - Formula weight is not available
| 1 | MET | ALA | SER | GLU | PHE | LYS | LYS | LYS | LEU | PHE | ||||
| 2 | TRP | ARG | ALA | VAL | VAL | ALA | GLU | PHE | LEU | ALA | ||||
| 3 | THR | THR | LEU | PHE | VAL | PHE | ILE | SER | ILE | GLY | ||||
| 4 | SER | ALA | LEU | GLY | PHE | LYS | TYR | PRO | VAL | GLY | ||||
| 5 | ASN | ASN | GLN | THR | ALA | VAL | GLN | ASP | ASN | VAL | ||||
| 6 | LYS | VAL | SER | LEU | ALA | PHE | GLY | LEU | SER | ILE | ||||
| 7 | ALA | THR | LEU | ALA | GLN | SER | VAL | GLY | HIS | ILE | ||||
| 8 | SER | GLY | ALA | HIS | LEU | ASN | PRO | ALA | VAL | THR | ||||
| 9 | LEU | GLY | LEU | LEU | LEU | SER | CYS | GLN | ILE | SER | ||||
| 10 | ILE | PHE | ARG | ALA | LEU | MET | TYR | ILE | ILE | ALA | ||||
| 11 | GLN | CYS | VAL | GLY | ALA | ILE | VAL | ALA | THR | ALA | ||||
| 12 | ILE | LEU | SER | GLY | ILE | THR | SER | SER | LEU | THR | ||||
| 13 | GLY | ASN | SER | LEU | GLY | ARG | ASN | ASP | LEU | ALA | ||||
| 14 | ASP | GLY | VAL | ASN | SER | GLY | GLN | GLY | LEU | GLY | ||||
| 15 | ILE | GLU | ILE | ILE | GLY | THR | LEU | GLN | LEU | VAL | ||||
| 16 | LEU | CYS | VAL | LEU | ALA | THR | THR | ASP | ARG | ARG | ||||
| 17 | ARG | ARG | ASP | LEU | GLY | GLY | SER | ALA | PRO | LEU | ||||
| 18 | ALA | ILE | GLY | LEU | SER | VAL | ALA | LEU | GLY | HIS | ||||
| 19 | LEU | LEU | ALA | ILE | ASP | TYR | THR | GLY | CYS | GLY | ||||
| 20 | ILE | ASN | PRO | ALA | ARG | SER | PHE | GLY | SER | ALA | ||||
| 21 | VAL | ILE | THR | HIS | ASN | PHE | SER | ASN | HIS | TRP | ||||
| 22 | ILE | PHE | TRP | VAL | GLY | PRO | PHE | ILE | GLY | GLY | ||||
| 23 | ALA | LEU | ALA | VAL | LEU | ILE | TYR | ASP | PHE | ILE | ||||
| 24 | LEU | ALA | PRO | ARG | SER | SER | ASP | LEU | THR | ASP | ||||
| 25 | ARG | VAL | LYS | VAL | TRP | THR | SER | GLY | GLN | VAL | ||||
| 26 | GLU | GLU | TYR | ASP | LEU | ASP | ALA | ASP | ASP | ILE | ||||
| 27 | ASN | SER | ARG | VAL | GLU | MET | LYS | PRO | LYS | ALA | ||||
| 28 | LEU | GLU | GLN | LYS | LEU | ILE | SER | GLU | GLU | ASP | ||||
| 29 | LEU | ASN | SER | ALA | VAL | ASP | HIS | HIS | HIS | HIS | ||||
| 30 | HIS | HIS |
Samples:
sample_1: human aquaporin 1, [U-100% 13C; U-100% 15N], 1:1 % w/w; Egg PC/Brain PS 1:1 % w/w; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 278 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D NCACX | sample_1 | isotropic | sample_conditions_1 |
| 3D NCOCX | sample_1 | isotropic | sample_conditions_1 |
| 3D CANCO | sample_1 | isotropic | sample_conditions_1 |
| 2D NCA | sample_1 | isotropic | sample_conditions_1 |
| 2D NCO | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v3.2, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CARA, Keller and Wuthrich - data analysis
NMR spectrometers:
- Bruker Avance III 800 MHz