BMRB Entry 51099
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51099
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Title: Methyl resonance assignments of beta-2 microglobulin in complex with HLA-B*44:05T73C/EEFGRC PubMed: 36115831
Deposition date: 2021-09-24 Original release date: 2022-10-12
Authors: Truong, Hau; Sgourakis, Nikolaos
Citation: Jiang, Jiansheng; Taylor, Daniel; Kim, Ellen; Boyd, Lisa; Ahmad, Javeed; Mage, Michael; Truong, Hau; Woodward, Claire; Sgourakis, Nikolaos; Cresswell, Peter; Margulies, David; Natarajan, Kannan. "Structural mechanism of tapasin-mediated MHC-I peptide loading in antigen presentation" Nat. Commun. 13, 5470-5470 (2022).
Assembly members:
entity_1, polymer, 277 residues, Formula weight is not available
entity_2, polymer, 100 residues, Formula weight is not available
entity_3, polymer, 6 residues, Formula weight is not available
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 Vector: pET22b+
Entity Sequences (FASTA):
entity_1: MGSHSMRYFYTAMSRPGRGE
PRFITVGYVDDTLFVRFDSD
ATSPRKEPRAPWIEQEGPEY
WDRETQISKTNTQCYRENLR
TALRYYNQSEAGSHIIQRMY
GCDVGPDGRLLRGYDQYAYD
GKDYIALNEDLSSWTAADTA
AQITQRKWEAARVAEQDRAY
LEGLCVESLRRYLENGKETL
QRADPPKTHVTHHPISDHEV
TLRCWALGFYPAEITLTWQR
DGEDQTQDTELVETRPAGDR
TFQKWAAVVVPSGEEQRYTC
HVQHEGLPKPLTLRWEP
entity_2: MIQRTPKIQVYSRHPAENGK
SNFLNCYVSGFHPSDIEVDL
LKNGERIEKVEHSDLSFSKD
WSFYLLYYTEFTPTEKDEYA
CRVNHVTLSQPKIVKWDRDM
entity_3: EEFGRC
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 27 |
| 1H chemical shifts | 81 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | HLA-B*44:05 | 1 |
| 2 | Hb2m | 2 |
| 3 | 6mer | 3 |
Entities:
Entity 1, HLA-B*44:05 277 residues - Formula weight is not available
| 1 | MET | GLY | SER | HIS | SER | MET | ARG | TYR | PHE | TYR | ||||
| 2 | THR | ALA | MET | SER | ARG | PRO | GLY | ARG | GLY | GLU | ||||
| 3 | PRO | ARG | PHE | ILE | THR | VAL | GLY | TYR | VAL | ASP | ||||
| 4 | ASP | THR | LEU | PHE | VAL | ARG | PHE | ASP | SER | ASP | ||||
| 5 | ALA | THR | SER | PRO | ARG | LYS | GLU | PRO | ARG | ALA | ||||
| 6 | PRO | TRP | ILE | GLU | GLN | GLU | GLY | PRO | GLU | TYR | ||||
| 7 | TRP | ASP | ARG | GLU | THR | GLN | ILE | SER | LYS | THR | ||||
| 8 | ASN | THR | GLN | CYS | TYR | ARG | GLU | ASN | LEU | ARG | ||||
| 9 | THR | ALA | LEU | ARG | TYR | TYR | ASN | GLN | SER | GLU | ||||
| 10 | ALA | GLY | SER | HIS | ILE | ILE | GLN | ARG | MET | TYR | ||||
| 11 | GLY | CYS | ASP | VAL | GLY | PRO | ASP | GLY | ARG | LEU | ||||
| 12 | LEU | ARG | GLY | TYR | ASP | GLN | TYR | ALA | TYR | ASP | ||||
| 13 | GLY | LYS | ASP | TYR | ILE | ALA | LEU | ASN | GLU | ASP | ||||
| 14 | LEU | SER | SER | TRP | THR | ALA | ALA | ASP | THR | ALA | ||||
| 15 | ALA | GLN | ILE | THR | GLN | ARG | LYS | TRP | GLU | ALA | ||||
| 16 | ALA | ARG | VAL | ALA | GLU | GLN | ASP | ARG | ALA | TYR | ||||
| 17 | LEU | GLU | GLY | LEU | CYS | VAL | GLU | SER | LEU | ARG | ||||
| 18 | ARG | TYR | LEU | GLU | ASN | GLY | LYS | GLU | THR | LEU | ||||
| 19 | GLN | ARG | ALA | ASP | PRO | PRO | LYS | THR | HIS | VAL | ||||
| 20 | THR | HIS | HIS | PRO | ILE | SER | ASP | HIS | GLU | VAL | ||||
| 21 | THR | LEU | ARG | CYS | TRP | ALA | LEU | GLY | PHE | TYR | ||||
| 22 | PRO | ALA | GLU | ILE | THR | LEU | THR | TRP | GLN | ARG | ||||
| 23 | ASP | GLY | GLU | ASP | GLN | THR | GLN | ASP | THR | GLU | ||||
| 24 | LEU | VAL | GLU | THR | ARG | PRO | ALA | GLY | ASP | ARG | ||||
| 25 | THR | PHE | GLN | LYS | TRP | ALA | ALA | VAL | VAL | VAL | ||||
| 26 | PRO | SER | GLY | GLU | GLU | GLN | ARG | TYR | THR | CYS | ||||
| 27 | HIS | VAL | GLN | HIS | GLU | GLY | LEU | PRO | LYS | PRO | ||||
| 28 | LEU | THR | LEU | ARG | TRP | GLU | PRO |
Entity 2, Hb2m 100 residues - Formula weight is not available
| 1 | MET | ILE | GLN | ARG | THR | PRO | LYS | ILE | GLN | VAL | |
| 2 | TYR | SER | ARG | HIS | PRO | ALA | GLU | ASN | GLY | LYS | |
| 3 | SER | ASN | PHE | LEU | ASN | CYS | TYR | VAL | SER | GLY | |
| 4 | PHE | HIS | PRO | SER | ASP | ILE | GLU | VAL | ASP | LEU | |
| 5 | LEU | LYS | ASN | GLY | GLU | ARG | ILE | GLU | LYS | VAL | |
| 6 | GLU | HIS | SER | ASP | LEU | SER | PHE | SER | LYS | ASP | |
| 7 | TRP | SER | PHE | TYR | LEU | LEU | TYR | TYR | THR | GLU | |
| 8 | PHE | THR | PRO | THR | GLU | LYS | ASP | GLU | TYR | ALA | |
| 9 | CYS | ARG | VAL | ASN | HIS | VAL | THR | LEU | SER | GLN | |
| 10 | PRO | LYS | ILE | VAL | LYS | TRP | ASP | ARG | ASP | MET |
Entity 3, 6mer 6 residues - Formula weight is not available
| 1 | GLU | GLU | PHE | GLY | ARG | CYS |
Samples:
sample_1: Human Beta-2 microglobulin, [U-13C; U-15N; U-2H; 99% 1HD-Ile,Leu; 99% 1HG-Val], 500 uM; HLA-B*44:05 500 uM; EEFGRC peptide 500 uM; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 1.6 mM; EDTA 5 mM
sample_conditions_1: ionic strength: 50 mM; pH: 7.2; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRFAM-SPARKY - chemical shift assignment
NMRPipe - processing
TALOS+ - data analysis
NMR spectrometers:
- Bruker AVANCE NEO 600 MHz