BMRB Entry 28108
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR28108
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Title: ILVproS methyl chemical shift assignments of HLA-A*02:01, a human major histocompatibility complex heavy chain, peptide-deficient and bound to human beta-2 microglobulin and the molecular chaperone TAPBPR PubMed: 34039964
Deposition date: 2020-03-24 Original release date: 2020-04-02
Authors: McShan, Andrew; Sgourakis, Nikolaos
Citation: McShan, Andrew; Devlin, Christine; Morozov, Giora; Overall, Sarah; Moschidi, Danai; Akella, Neha; Procko, Erik; Sgourakis, Nikolaos. "TAPBPR Promotes Loading of Cargo on MHC-I Molecules Using a Peptide Trap" Nat. Commun. 12, 3174-3174 (2021).
Assembly members:
HLA-A*02:01, polymer, 276 residues, Formula weight is not available
human_beta-2_microglobulin, polymer, 99 residues, Formula weight is not available
TAPBPR, polymer, 421 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):
HLA-A*02:01: GSHSMRYFFTSVSRPGRGEP
RFIAVGYVDDTQFVRFDSDA
ASQRMEPRAPWIEQEGPEYW
DGETRKVKAHSQTHRVDLGT
LRGYYNQSEAGSHTVQRMYG
CDVGSDWRFLRGYHQYAYDG
KDYIALKEDLRSWTAADMAA
QTTKHKWEAAHVAEQLRAYL
EGTCVEWLRRYLENGKETLQ
RTDAPKTHMTHHAVSDHEAT
LRCWALSFYPAEITLTWQRD
GEDQTQDTELVETRPAGDGT
FQKWAAVVVPSGQEQRYTCH
VQHEGLPKPLTLRWEP
human_beta-2_microglobulin: IQRTPKIQVYSRHPAENGKS
NFLNCYVSGFHPSDIEVDLL
KNGERIEKVEHSDLSFSKDW
SFYLLYYTEFTPTEKDEYAC
RVNHVTLSQPKIVKWDRDM
TAPBPR: KPHPAEGQWRAVDVVLDCFL
VKDGAHRGALASSEDRARAS
LVLKQVPVLDDGSLEDFTDF
QGGTLAQDDPPIIFEASVDL
VQIPQAEALLHADCSGKEVT
CEISRYFLQMTETTVKTAAW
FMANVQVSGGGPSISLVMKT
PRVAKNEVLWHPTLNLPLSP
QGTVRTAVEFQVMTQTQSLS
FLLGSSASLDCGFSMAPGLD
LISVEWRLQHKGRGQLVYSW
TAGQGQAVRKGATLEPAQLG
MARDASLTLPGLTIQDEGTY
ICQITTSLYRAQQIIQLNIQ
ASPKVRLSLANEALLPTLIC
DIAGYYPLDVVVTWTREELG
GSPAQVSGASFSSLRQSVAG
TYSISSSLTAEPGSAGATYT
CQVTHISLEEPLGASTQVVP
PERRLEGGLEVLFQGPGGGL
NDIFEAQKIEWHEGGHHHHH
H
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 30 |
| 1H chemical shifts | 90 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | HLA-A*02:01 | 1 |
| 2 | human beta-2 microglobulin | 2 |
| 3 | TAPBPR | 3 |
Entities:
Entity 1, HLA-A*02:01 276 residues - Formula weight is not available
| 1 | GLY | SER | HIS | SER | MET | ARG | TYR | PHE | PHE | THR | ||||
| 2 | SER | VAL | SER | ARG | PRO | GLY | ARG | GLY | GLU | PRO | ||||
| 3 | ARG | PHE | ILE | ALA | VAL | GLY | TYR | VAL | ASP | ASP | ||||
| 4 | THR | GLN | PHE | VAL | ARG | PHE | ASP | SER | ASP | ALA | ||||
| 5 | ALA | SER | GLN | ARG | MET | GLU | PRO | ARG | ALA | PRO | ||||
| 6 | TRP | ILE | GLU | GLN | GLU | GLY | PRO | GLU | TYR | TRP | ||||
| 7 | ASP | GLY | GLU | THR | ARG | LYS | VAL | LYS | ALA | HIS | ||||
| 8 | SER | GLN | THR | HIS | ARG | VAL | ASP | LEU | GLY | THR | ||||
| 9 | LEU | ARG | GLY | TYR | TYR | ASN | GLN | SER | GLU | ALA | ||||
| 10 | GLY | SER | HIS | THR | VAL | GLN | ARG | MET | TYR | GLY | ||||
| 11 | CYS | ASP | VAL | GLY | SER | ASP | TRP | ARG | PHE | LEU | ||||
| 12 | ARG | GLY | TYR | HIS | GLN | TYR | ALA | TYR | ASP | GLY | ||||
| 13 | LYS | ASP | TYR | ILE | ALA | LEU | LYS | GLU | ASP | LEU | ||||
| 14 | ARG | SER | TRP | THR | ALA | ALA | ASP | MET | ALA | ALA | ||||
| 15 | GLN | THR | THR | LYS | HIS | LYS | TRP | GLU | ALA | ALA | ||||
| 16 | HIS | VAL | ALA | GLU | GLN | LEU | ARG | ALA | TYR | LEU | ||||
| 17 | GLU | GLY | THR | CYS | VAL | GLU | TRP | LEU | ARG | ARG | ||||
| 18 | TYR | LEU | GLU | ASN | GLY | LYS | GLU | THR | LEU | GLN | ||||
| 19 | ARG | THR | ASP | ALA | PRO | LYS | THR | HIS | MET | THR | ||||
| 20 | HIS | HIS | ALA | VAL | SER | ASP | HIS | GLU | ALA | THR | ||||
| 21 | LEU | ARG | CYS | TRP | ALA | LEU | SER | PHE | TYR | PRO | ||||
| 22 | ALA | GLU | ILE | THR | LEU | THR | TRP | GLN | ARG | ASP | ||||
| 23 | GLY | GLU | ASP | GLN | THR | GLN | ASP | THR | GLU | LEU | ||||
| 24 | VAL | GLU | THR | ARG | PRO | ALA | GLY | ASP | GLY | THR | ||||
| 25 | PHE | GLN | LYS | TRP | ALA | ALA | VAL | VAL | VAL | PRO | ||||
| 26 | SER | GLY | GLN | GLU | GLN | ARG | TYR | THR | CYS | HIS | ||||
| 27 | VAL | GLN | HIS | GLU | GLY | LEU | PRO | LYS | PRO | LEU | ||||
| 28 | THR | LEU | ARG | TRP | GLU | PRO |
Entity 2, human beta-2 microglobulin 99 residues - Formula weight is not available
| 1 | ILE | GLN | ARG | THR | PRO | LYS | ILE | GLN | VAL | TYR | ||||
| 2 | SER | ARG | HIS | PRO | ALA | GLU | ASN | GLY | LYS | SER | ||||
| 3 | ASN | PHE | LEU | ASN | CYS | TYR | VAL | SER | GLY | PHE | ||||
| 4 | HIS | PRO | SER | ASP | ILE | GLU | VAL | ASP | LEU | LEU | ||||
| 5 | LYS | ASN | GLY | GLU | ARG | ILE | GLU | LYS | VAL | GLU | ||||
| 6 | HIS | SER | ASP | LEU | SER | PHE | SER | LYS | ASP | TRP | ||||
| 7 | SER | PHE | TYR | LEU | LEU | TYR | TYR | THR | GLU | PHE | ||||
| 8 | THR | PRO | THR | GLU | LYS | ASP | GLU | TYR | ALA | CYS | ||||
| 9 | ARG | VAL | ASN | HIS | VAL | THR | LEU | SER | GLN | PRO | ||||
| 10 | LYS | ILE | VAL | LYS | TRP | ASP | ARG | ASP | MET |
Entity 3, TAPBPR 421 residues - Formula weight is not available
| 1 | LYS | PRO | HIS | PRO | ALA | GLU | GLY | GLN | TRP | ARG | ||||
| 2 | ALA | VAL | ASP | VAL | VAL | LEU | ASP | CYS | PHE | LEU | ||||
| 3 | VAL | LYS | ASP | GLY | ALA | HIS | ARG | GLY | ALA | LEU | ||||
| 4 | ALA | SER | SER | GLU | ASP | ARG | ALA | ARG | ALA | SER | ||||
| 5 | LEU | VAL | LEU | LYS | GLN | VAL | PRO | VAL | LEU | ASP | ||||
| 6 | ASP | GLY | SER | LEU | GLU | ASP | PHE | THR | ASP | PHE | ||||
| 7 | GLN | GLY | GLY | THR | LEU | ALA | GLN | ASP | ASP | PRO | ||||
| 8 | PRO | ILE | ILE | PHE | GLU | ALA | SER | VAL | ASP | LEU | ||||
| 9 | VAL | GLN | ILE | PRO | GLN | ALA | GLU | ALA | LEU | LEU | ||||
| 10 | HIS | ALA | ASP | CYS | SER | GLY | LYS | GLU | VAL | THR | ||||
| 11 | CYS | GLU | ILE | SER | ARG | TYR | PHE | LEU | GLN | MET | ||||
| 12 | THR | GLU | THR | THR | VAL | LYS | THR | ALA | ALA | TRP | ||||
| 13 | PHE | MET | ALA | ASN | VAL | GLN | VAL | SER | GLY | GLY | ||||
| 14 | GLY | PRO | SER | ILE | SER | LEU | VAL | MET | LYS | THR | ||||
| 15 | PRO | ARG | VAL | ALA | LYS | ASN | GLU | VAL | LEU | TRP | ||||
| 16 | HIS | PRO | THR | LEU | ASN | LEU | PRO | LEU | SER | PRO | ||||
| 17 | GLN | GLY | THR | VAL | ARG | THR | ALA | VAL | GLU | PHE | ||||
| 18 | GLN | VAL | MET | THR | GLN | THR | GLN | SER | LEU | SER | ||||
| 19 | PHE | LEU | LEU | GLY | SER | SER | ALA | SER | LEU | ASP | ||||
| 20 | CYS | GLY | PHE | SER | MET | ALA | PRO | GLY | LEU | ASP | ||||
| 21 | LEU | ILE | SER | VAL | GLU | TRP | ARG | LEU | GLN | HIS | ||||
| 22 | LYS | GLY | ARG | GLY | GLN | LEU | VAL | TYR | SER | TRP | ||||
| 23 | THR | ALA | GLY | GLN | GLY | GLN | ALA | VAL | ARG | LYS | ||||
| 24 | GLY | ALA | THR | LEU | GLU | PRO | ALA | GLN | LEU | GLY | ||||
| 25 | MET | ALA | ARG | ASP | ALA | SER | LEU | THR | LEU | PRO | ||||
| 26 | GLY | LEU | THR | ILE | GLN | ASP | GLU | GLY | THR | TYR | ||||
| 27 | ILE | CYS | GLN | ILE | THR | THR | SER | LEU | TYR | ARG | ||||
| 28 | ALA | GLN | GLN | ILE | ILE | GLN | LEU | ASN | ILE | GLN | ||||
| 29 | ALA | SER | PRO | LYS | VAL | ARG | LEU | SER | LEU | ALA | ||||
| 30 | ASN | GLU | ALA | LEU | LEU | PRO | THR | LEU | ILE | CYS | ||||
| 31 | ASP | ILE | ALA | GLY | TYR | TYR | PRO | LEU | ASP | VAL | ||||
| 32 | VAL | VAL | THR | TRP | THR | ARG | GLU | GLU | LEU | GLY | ||||
| 33 | GLY | SER | PRO | ALA | GLN | VAL | SER | GLY | ALA | SER | ||||
| 34 | PHE | SER | SER | LEU | ARG | GLN | SER | VAL | ALA | GLY | ||||
| 35 | THR | TYR | SER | ILE | SER | SER | SER | LEU | THR | ALA | ||||
| 36 | GLU | PRO | GLY | SER | ALA | GLY | ALA | THR | TYR | THR | ||||
| 37 | CYS | GLN | VAL | THR | HIS | ILE | SER | LEU | GLU | GLU | ||||
| 38 | PRO | LEU | GLY | ALA | SER | THR | GLN | VAL | VAL | PRO | ||||
| 39 | PRO | GLU | ARG | ARG | LEU | GLU | GLY | GLY | LEU | GLU | ||||
| 40 | VAL | LEU | PHE | GLN | GLY | PRO | GLY | GLY | GLY | LEU | ||||
| 41 | ASN | ASP | ILE | PHE | GLU | ALA | GLN | LYS | ILE | GLU | ||||
| 42 | TRP | HIS | GLU | GLY | GLY | HIS | HIS | HIS | HIS | HIS | ||||
| 43 | HIS |
Samples:
sample_1: HLA-A*02:01, [U-15N] ILVproS, 80 uM; human beta-2 microglobulin 80 uM; TAPBPR 80 uM; NaCl 50 mM; sodium phosphate 20 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 HMQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY methyl | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - chemical shift assignment
NMR spectrometers:
- Bruker Avance III HD 800 MHz