BMRB Entry 51639
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51639
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Title: Solid State MAS NMR chemical shift assignment of KR2 in DMPC/DMPA proteoliposomes PubMed: 36528791
Deposition date: 2022-09-26 Original release date: 2022-10-01
Authors: Kriebel, Clara; Becker-Baldus, Johanna; Glaubitz, Clemens
Citation: Kriebel, Clara Nassrin; Asido, Marvin; Kaur, Jagdeep; Orth, Jennifer; Braun, Philipp; Becker-Baldus, Johanna; Wachtveitl, Josef; Glaubitz, Clemens. "Structural and functional consequences of the H180A mutation of the light-driven sodium pump KR2" Biophys. J. 122, 1003-1017 (2023).
Assembly members:
entity_1, polymer, 288 residues, Formula weight is not available
Natural source: Common Name: Dokdonia eikasta Taxonomy ID: 308116 Superkingdom: Bacteria Kingdom: not available Genus/species: Dokdonia eikasta
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET26b
Entity Sequences (FASTA):
entity_1: MTQELGNANFENFIGATEGF
SEIAYQFTSHILTLGYAVML
AGLLYFILTIKNVDKKFQMS
NILSAVVMVSAFLLLYAQAQ
NWTSSFTFNEEVGRYFLDPS
GDLFNNGYRYLNWLIDVPML
LFQILFVVSLTTSKFSSVRN
QFWFSGAMMIITGYIGQFYE
VSNLTAFLVWGAISSAFFFH
ILWVMKKVINEGKEGISPAG
QKILSNIWILFLISWTLYPG
AYLMPYLTGVDGFLYSEDGV
MARQLVYTIADVSSKVIYGV
LLGNLAITLSKNKELVEANS
LEHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 703 |
| 15N chemical shifts | 177 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Protomer | 1 |
Entities:
Entity 1, Protomer 288 residues - Formula weight is not available
| 1 | MET | THR | GLN | GLU | LEU | GLY | ASN | ALA | ASN | PHE | ||||
| 2 | GLU | ASN | PHE | ILE | GLY | ALA | THR | GLU | GLY | PHE | ||||
| 3 | SER | GLU | ILE | ALA | TYR | GLN | PHE | THR | SER | HIS | ||||
| 4 | ILE | LEU | THR | LEU | GLY | TYR | ALA | VAL | MET | LEU | ||||
| 5 | ALA | GLY | LEU | LEU | TYR | PHE | ILE | LEU | THR | ILE | ||||
| 6 | LYS | ASN | VAL | ASP | LYS | LYS | PHE | GLN | MET | SER | ||||
| 7 | ASN | ILE | LEU | SER | ALA | VAL | VAL | MET | VAL | SER | ||||
| 8 | ALA | PHE | LEU | LEU | LEU | TYR | ALA | GLN | ALA | GLN | ||||
| 9 | ASN | TRP | THR | SER | SER | PHE | THR | PHE | ASN | GLU | ||||
| 10 | GLU | VAL | GLY | ARG | TYR | PHE | LEU | ASP | PRO | SER | ||||
| 11 | GLY | ASP | LEU | PHE | ASN | ASN | GLY | TYR | ARG | TYR | ||||
| 12 | LEU | ASN | TRP | LEU | ILE | ASP | VAL | PRO | MET | LEU | ||||
| 13 | LEU | PHE | GLN | ILE | LEU | PHE | VAL | VAL | SER | LEU | ||||
| 14 | THR | THR | SER | LYS | PHE | SER | SER | VAL | ARG | ASN | ||||
| 15 | GLN | PHE | TRP | PHE | SER | GLY | ALA | MET | MET | ILE | ||||
| 16 | ILE | THR | GLY | TYR | ILE | GLY | GLN | PHE | TYR | GLU | ||||
| 17 | VAL | SER | ASN | LEU | THR | ALA | PHE | LEU | VAL | TRP | ||||
| 18 | GLY | ALA | ILE | SER | SER | ALA | PHE | PHE | PHE | HIS | ||||
| 19 | ILE | LEU | TRP | VAL | MET | LYS | LYS | VAL | ILE | ASN | ||||
| 20 | GLU | GLY | LYS | GLU | GLY | ILE | SER | PRO | ALA | GLY | ||||
| 21 | GLN | LYS | ILE | LEU | SER | ASN | ILE | TRP | ILE | LEU | ||||
| 22 | PHE | LEU | ILE | SER | TRP | THR | LEU | TYR | PRO | GLY | ||||
| 23 | ALA | TYR | LEU | MET | PRO | TYR | LEU | THR | GLY | VAL | ||||
| 24 | ASP | GLY | PHE | LEU | TYR | SER | GLU | ASP | GLY | VAL | ||||
| 25 | MET | ALA | ARG | GLN | LEU | VAL | TYR | THR | ILE | ALA | ||||
| 26 | ASP | VAL | SER | SER | LYS | VAL | ILE | TYR | GLY | VAL | ||||
| 27 | LEU | LEU | GLY | ASN | LEU | ALA | ILE | THR | LEU | SER | ||||
| 28 | LYS | ASN | LYS | GLU | LEU | VAL | GLU | ALA | ASN | SER | ||||
| 29 | LEU | GLU | HIS | HIS | HIS | HIS | HIS | HIS |
Samples:
sample_1: Krokinobacter eikastus rhodopsin 2 (KR2), [U-98% 13C; U-98% 15N], 20 mg; DMPC 9 mg; DMPA 1 mg; TRIS pH 8.5 50 mM; MgCl2 5 mM; Gd-DOTA 2 mM
sample_2: Krokinobacter eikastus rhodopsin 2 (KR2), [U-13C; U-15N]-Phe, Tyr, Leu, Ile, Val, 20 mg; DMPC 9 mg; DMPA 1 mg; TRIS pH 8.5 50 mM; MgCl2 5 mM; Gd-DOTA 2 mM
sample_3: Krokinobacter eikastus rhodopsin 2 (KR2), [U-13C; U-15N] without Phe,Tyr,Leu; Ile,Val, 20 mg; DMPC 9 mg; DMPA 1 mg; TRIS pH 8.5 50 mM; MgCl2 5 mM; Gd-DOTA 2 mM
sample_conditions_1: pH: 8.5; pressure: 1 atm; temperature controller setting: 270 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D NCOCX | sample_1 | isotropic | sample_conditions_1 |
| 3D NCACX | sample_1 | isotropic | sample_conditions_1 |
| 3D CONCA | sample_1 | isotropic | sample_conditions_1 |
| 3D NCOCX | sample_2 | isotropic | sample_conditions_1 |
| 3D NCACX | sample_2 | isotropic | sample_conditions_1 |
| 3D CONCA | sample_2 | isotropic | sample_conditions_1 |
| 3D NCOCX | sample_3 | isotropic | sample_conditions_1 |
| 3D NCACX | sample_3 | isotropic | sample_conditions_1 |
| 3D CONCA | sample_3 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v3.6.x - collection, processing
CcpNMR v2 - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE III 850 MHz