BMRB Entry 51999
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51999
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Title: Methyl assignments of the light chain from the open MHC mutant HLA-B*37:01-G121C/b2m-H32C/FEDLRVJSF(photoB37) human MHC-I protein complex PubMed: 37543367
Deposition date: 2023-06-15 Original release date: 2023-10-03
Authors: Woodward, Claire; Sgourakis, Nikolaos
Citation: Papadaki, Georgia; Woodward, Claire; Young, Michael; Winters, Trenton; Burslem, George; Sgourakis, Nikolaos. "A Chicken Tapasin ortholog can chaperone empty HLA-B*37:01 molecules independent of other peptide-loading components" J. Biol. Chem. 299, 105136-105136 (2023).
Assembly members:
entity_1, polymer, 100 residues, Formula weight is not available
entity_2, polymer, 294 residues, Formula weight is not available
entity_3, polymer, 9 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: pet15b
Entity Sequences (FASTA):
entity_1: MIQRTPKIQVYSRHPAENGK
SNFLNCYVSGFCPSDIEVDL
LKNGERIEKVEHSDLSFSKD
WSFYLLYYTEFTPTEKDEYA
CRVNHVTLSQPKIVKWDRDM
entity_2: MGSHSMRYFHTSVSRPGRGE
PRFISVGYVDDTQFVRFDSD
AASPRTEPRAPWIEQEGPEY
WDRETQISKTNTQTYREDLR
TLLRYYNQSEAGSHTIQRMS
GCDVGPDGRLLRGYNQFAYD
CKDYIALNEDLSSWTAADTA
AQITQRKWEAARVAEQDRAY
LEGTCVEWLRRYLENGKETL
QRADPPKTHVTHHPISDHEA
TLRCWALGFYPAEITLTWQR
DGEDQTQDTELVETRPAGDR
TFQKWAAVVVPSGEEQRYTC
HVQHEGLPKPLTLRWEPGSL
HHILDAQKMVWNHR
entity_3: FEDLRVJSF
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 33 |
| 1H chemical shifts | 105 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | beta-2 microglbulin-H32C | 1 |
| 2 | HLA-B*37:01 | 2 |
| 3 | photoB37 peptide | 3 |
Entities:
Entity 1, beta-2 microglbulin-H32C 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 | CYS | 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 2, HLA-B*37:01 294 residues - Formula weight is not available
| 1 | MET | GLY | SER | HIS | SER | MET | ARG | TYR | PHE | HIS | ||||
| 2 | THR | SER | VAL | SER | ARG | PRO | GLY | ARG | GLY | GLU | ||||
| 3 | PRO | ARG | PHE | ILE | SER | VAL | GLY | TYR | VAL | ASP | ||||
| 4 | ASP | THR | GLN | PHE | VAL | ARG | PHE | ASP | SER | ASP | ||||
| 5 | ALA | ALA | SER | PRO | ARG | THR | 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 | THR | TYR | ARG | GLU | ASP | LEU | ARG | ||||
| 9 | THR | LEU | LEU | ARG | TYR | TYR | ASN | GLN | SER | GLU | ||||
| 10 | ALA | GLY | SER | HIS | THR | ILE | GLN | ARG | MET | SER | ||||
| 11 | GLY | CYS | ASP | VAL | GLY | PRO | ASP | GLY | ARG | LEU | ||||
| 12 | LEU | ARG | GLY | TYR | ASN | GLN | PHE | ALA | TYR | ASP | ||||
| 13 | CYS | 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 | THR | CYS | VAL | GLU | TRP | 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 | ALA | ||||
| 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 | GLY | SER | LEU | ||||
| 29 | HIS | HIS | ILE | LEU | ASP | ALA | GLN | LYS | MET | VAL | ||||
| 30 | TRP | ASN | HIS | ARG |
Entity 3, photoB37 peptide 9 residues - Formula weight is not available
| 1 | PHE | GLU | ASP | LEU | ARG | VAL | X | SER | PHE |
Samples:
sample_1: open beta-2 microglobulin-H32C, [U-15N; U-2H] 99% 13CH3 AILV methyls, 385 uM; open HLA-B*37:01-G121C 385 uM; photoB37 peptide 770 uM; D2O, 2H, 5%; sodium azide 0.001 M; sodium phosphate buffer 20 mM; NaCl 150 mM
sample_conditions_1: ionic strength: 150 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 Cm-CmHM NOESY-HMQC | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe - processing
POKY - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE III 600 MHz