BMRB Entry 19119
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19119
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
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Citation: Beerbaum, Monika; Ballaschk, Martin; Erdmann, Natalja; Schnick, Christina; Diehl, Anne; Uchanska-Ziegler, Barbara; Ziegler, Andreas; Schmieder, Peter. "NMR spectroscopy reveals unexpected structural variation at the protein-protein interface in MHC class I molecules." J. Biomol. NMR 57, 167-178 (2013).
PubMed: 24006098
Assembly members:
human_beta-2_microglobulin, polymer, 100 residues, Formula weight is not available
pGR_peptide, polymer, 9 residues, Formula weight is not available
HLA-B2709, polymer, 276 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: pHN1+
Entity Sequences (FASTA):
human_beta-2_microglobulin: MIQRTPKIQVYSRHPAENGK
SNFLNCYVSGFHPSDIEVDL
LKNGERIEKVEHSDLSFSKD
WSFYLLYYTEFTPTEKDEYA
CRVNHVTLSQPKIVKWDRDM
pGR_peptide: RRRWHRWRL
HLA-B2709: GSHSMRYFHTSVSRPGRGEP
RFITVGYVDDTLFVRFDSDA
ASPREEPRAPWIEQEGPEYW
DRETQICKAKAQTDREDLRT
LLRYYNQSEAGSHTLQNMYG
CDVGPDGRLLRGYHQDAYDG
KDYIALNEDLSSWTAADTAA
QITQRKWEAARVAEQLRAYL
EGECVEWLRRYLENGKETLQ
RADPPKTHVTHHPISDHEAT
LRCWALGFYPAEITLTWQRD
GEDQTQDTELVETRPAGDRT
FQKWAAVVVPSGEEQRYTCH
VQHEGLPKPLTLRWEP
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 92 |
| 1H chemical shifts | 91 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | beta-2 microglobulin | 1 |
| 2 | pGR peptide | 2 |
| 3 | HLA-B2709 protein | 3 |
Entities:
Entity 1, beta-2 microglobulin 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 2, pGR peptide 9 residues - Formula weight is not available
| 1 | ARG | ARG | ARG | TRP | HIS | ARG | TRP | ARG | LEU |
Entity 3, HLA-B2709 protein 276 residues - Formula weight is not available
| 1 | GLY | SER | HIS | SER | MET | ARG | TYR | PHE | HIS | THR | ||||
| 2 | SER | VAL | SER | ARG | PRO | GLY | ARG | GLY | GLU | PRO | ||||
| 3 | ARG | PHE | ILE | THR | VAL | GLY | TYR | VAL | ASP | ASP | ||||
| 4 | THR | LEU | PHE | VAL | ARG | PHE | ASP | SER | ASP | ALA | ||||
| 5 | ALA | SER | PRO | ARG | GLU | GLU | PRO | ARG | ALA | PRO | ||||
| 6 | TRP | ILE | GLU | GLN | GLU | GLY | PRO | GLU | TYR | TRP | ||||
| 7 | ASP | ARG | GLU | THR | GLN | ILE | CYS | LYS | ALA | LYS | ||||
| 8 | ALA | GLN | THR | ASP | ARG | GLU | ASP | LEU | ARG | THR | ||||
| 9 | LEU | LEU | ARG | TYR | TYR | ASN | GLN | SER | GLU | ALA | ||||
| 10 | GLY | SER | HIS | THR | LEU | GLN | ASN | MET | TYR | GLY | ||||
| 11 | CYS | ASP | VAL | GLY | PRO | ASP | GLY | ARG | LEU | LEU | ||||
| 12 | ARG | GLY | TYR | HIS | GLN | ASP | ALA | TYR | ASP | GLY | ||||
| 13 | LYS | ASP | TYR | ILE | ALA | LEU | ASN | GLU | ASP | LEU | ||||
| 14 | SER | SER | TRP | THR | ALA | ALA | ASP | THR | ALA | ALA | ||||
| 15 | GLN | ILE | THR | GLN | ARG | LYS | TRP | GLU | ALA | ALA | ||||
| 16 | ARG | VAL | ALA | GLU | GLN | LEU | ARG | ALA | TYR | LEU | ||||
| 17 | GLU | GLY | GLU | CYS | VAL | GLU | TRP | LEU | ARG | ARG | ||||
| 18 | TYR | LEU | GLU | ASN | GLY | LYS | GLU | THR | LEU | GLN | ||||
| 19 | ARG | ALA | ASP | PRO | PRO | LYS | THR | HIS | VAL | THR | ||||
| 20 | HIS | HIS | PRO | ILE | SER | ASP | HIS | GLU | ALA | THR | ||||
| 21 | LEU | ARG | CYS | TRP | ALA | LEU | GLY | 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 | ARG | THR | ||||
| 25 | PHE | GLN | LYS | TRP | ALA | ALA | VAL | VAL | VAL | PRO | ||||
| 26 | SER | GLY | GLU | 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 |
Samples:
sample_1: beta-2 microglobulin, [U-15N], 0.52 mM; pGR peptide 0.52 mM; HLA-B2709 protein 0.52 mM; Sodium Phosphate 10 mM; Sodium Chloride 150 mM
sample_conditions_1: ionic strength: 160 mM; pH: 7.5; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HCACO | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v2.1 -
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 750 MHz
Related Database Links:
| BMRB | 15480 16587 17165 17166 19099 19113 19116 19118 19120 19121 19122 19123 3078 3079 19113 19116 19118 19120 19121 19122 19123 |
| PDB | |
| DBJ | BAA35182 BAG38125 BAG64583 BAG72952 BAA11753 BAJ83633 BAN59815 |
| EMBL | CAA23830 CAG33347 CAH92078 CAA27301 CAA27302 CAA27578 CAA51980 CAA83876 |
| GB | AAA51811 AAA87972 AAA88008 AAB25312 AAB35347 AAA36221 AAA59643 AAA69724 AAA96268 AAA98506 |
| REF | NP_001009066 NP_001127503 NP_004039 XP_003266898 XP_004056148 |
| SP | P16213 P61769 P61770 P61771 P03989 |
| PRF | 1413302A |
| AlphaFold | P16213 P61769 P61770 P61771 P03989 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks