BMRB Entry 50085
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR50085
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Title: Collective exchange processes reveal an active site proton cage in bacteriorhodopsin PubMed: 31925324
Deposition date: 2019-11-11 Original release date: 2020-01-06
Authors: Friedrich, Daniel
Citation: Friedrich, Daniel; Brunig, Florian; Nieuwkoop, Andrew; Netz, Roland; Hegemann, Peter; Oschkinat, Hartmut. "Collective exchange processes reveal an active site proton cage in bacteriorhodopsin" Commun. Biol. 3, 4-4 (2020).
Assembly members:
entity_1, polymer, 248 residues, Formula weight is not available
Natural source: Common Name: Halobacterium salinarum Taxonomy ID: 2242 Superkingdom: Archaea Kingdom: not available Genus/species: Halobacterium salinarum
Experimental source: Production method: native organism Host organism: Halobacterium salinarum
Entity Sequences (FASTA):
entity_1: QAQITGRPEWIWLALGTALM
GLGTLYFLVKGMGVSDPDAK
KFYAITTLVPAIAFTMYLSM
LLGYGLTMVPFGGEQNPIYW
ARYADWLFTTPLLLLDLALL
VDADQGTILALVGADGIMIG
TGLVGALTKVYSYRFVWWAI
STAAMLYILYVLFFGFTSLA
ESMRPEVASTFKVLRNVTVV
LWSAYPVVWLIGSEGAGIVP
LNIETLLFMVLDVSAKVGFG
LILLRSRAIFGEAEAPEPSA
GDGAAATS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 2 |
| 15N chemical shifts | 42 |
| 1H chemical shifts | 44 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | bacteriorhodopsin | 1 |
Entities:
Entity 1, bacteriorhodopsin 248 residues - Formula weight is not available
| 1 | GLN | ALA | GLN | ILE | THR | GLY | ARG | PRO | GLU | TRP | ||||
| 2 | ILE | TRP | LEU | ALA | LEU | GLY | THR | ALA | LEU | MET | ||||
| 3 | GLY | LEU | GLY | THR | LEU | TYR | PHE | LEU | VAL | LYS | ||||
| 4 | GLY | MET | GLY | VAL | SER | ASP | PRO | ASP | ALA | LYS | ||||
| 5 | LYS | PHE | TYR | ALA | ILE | THR | THR | LEU | VAL | PRO | ||||
| 6 | ALA | ILE | ALA | PHE | THR | MET | TYR | LEU | SER | MET | ||||
| 7 | LEU | LEU | GLY | TYR | GLY | LEU | THR | MET | VAL | PRO | ||||
| 8 | PHE | GLY | GLY | GLU | GLN | ASN | PRO | ILE | TYR | TRP | ||||
| 9 | ALA | ARG | TYR | ALA | ASP | TRP | LEU | PHE | THR | THR | ||||
| 10 | PRO | LEU | LEU | LEU | LEU | ASP | LEU | ALA | LEU | LEU | ||||
| 11 | VAL | ASP | ALA | ASP | GLN | GLY | THR | ILE | LEU | ALA | ||||
| 12 | LEU | VAL | GLY | ALA | ASP | GLY | ILE | MET | ILE | GLY | ||||
| 13 | THR | GLY | LEU | VAL | GLY | ALA | LEU | THR | LYS | VAL | ||||
| 14 | TYR | SER | TYR | ARG | PHE | VAL | TRP | TRP | ALA | ILE | ||||
| 15 | SER | THR | ALA | ALA | MET | LEU | TYR | ILE | LEU | TYR | ||||
| 16 | VAL | LEU | PHE | PHE | GLY | PHE | THR | SER | LEU | ALA | ||||
| 17 | GLU | SER | MET | ARG | PRO | GLU | VAL | ALA | SER | THR | ||||
| 18 | PHE | LYS | VAL | LEU | ARG | ASN | VAL | THR | VAL | VAL | ||||
| 19 | LEU | TRP | SER | ALA | TYR | PRO | VAL | VAL | TRP | LEU | ||||
| 20 | ILE | GLY | SER | GLU | GLY | ALA | GLY | ILE | VAL | PRO | ||||
| 21 | LEU | ASN | ILE | GLU | THR | LEU | LEU | PHE | MET | VAL | ||||
| 22 | LEU | ASP | VAL | SER | ALA | LYS | VAL | GLY | PHE | GLY | ||||
| 23 | LEU | ILE | LEU | LEU | ARG | SER | ARG | ALA | ILE | PHE | ||||
| 24 | GLY | GLU | ALA | GLU | ALA | PRO | GLU | PRO | SER | ALA | ||||
| 25 | GLY | ASP | GLY | ALA | ALA | ALA | THR | SER |
Samples:
sample_1: bacteriorhodopsin, DCN, 10 mM
sample_conditions_1: pH: 7.5; temperature: 290 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 |
Software:
CcpNMR, CcpNMR - chemical shift assignment
NMR spectrometers:
- Bruker Avance 900 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts