BMRB Entry 18285
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18285
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Schlundt, Andreas; Guenther, Sebastian; Sticht, Jana; Wieczorek, Marek; Roske, Yvette; Heinemann, Udo; Freund, Christian. "Peptide linkage to the alpha-subunit of MHCII creates a stably inverted antigen presentation complex" J. Mol. Biol. 423, 294-302 (2012).
PubMed: 22820093
Assembly members:
HLA-DR1_alpha_subunit, polymer, 193 residues, Formula weight is not available
HLA-DR1_beta_subunit, polymer, 199 residues, Formula weight is not available
CLIP102-120, polymer, 19 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: pET system
Entity Sequences (FASTA):
HLA-DR1_alpha_subunit: MIKEEHVIIQAEFYLNPDQS
GEFMFDFDGDEIFHVDMAKK
ETVWRLEEFGRFASFEAQGA
LANIAVDKANLEIMTKRSNY
TPITNVPPEVTVLTNSPVEL
REPNVLICFIDKFTPPVVNV
TWLRNGKPVTTGVSETVFLP
REDHLFRKFHYLPFLPSTED
VYDCRVEHWGLDEPLLKHWE
FDAPSPLPETTEN
HLA-DR1_beta_subunit: MGDTRPRFLWQLKFECHFFN
GTERVRLLERCIYNQEESVR
FDSDVGEYRAVTELGRPDAE
YWNSQKDLLEQRRAAVDTYC
RHNYGVGESFTVQRRVEPKV
TVYPSKTQPLQHHNLLVCSV
SGFYPGSIEVRWFRNGQEEK
AGVVSTGLIQNGDWTFQTLV
MLETVPRSGEVYTCQVEHPS
VTSPLTVEWRARSESAQSK
CLIP102-120: KPVSKMRMATPLLMQALPM
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 159 |
| 1H chemical shifts | 159 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | HLA-DR1_alpha_subunit | 1 |
| 2 | HLA-DR1_beta_subunit | 2 |
| 3 | CLIP102-120 | 3 |
Entities:
Entity 1, HLA-DR1_alpha_subunit 193 residues - Formula weight is not available
| 1 | MET | ILE | LYS | GLU | GLU | HIS | VAL | ILE | ILE | GLN | ||||
| 2 | ALA | GLU | PHE | TYR | LEU | ASN | PRO | ASP | GLN | SER | ||||
| 3 | GLY | GLU | PHE | MET | PHE | ASP | PHE | ASP | GLY | ASP | ||||
| 4 | GLU | ILE | PHE | HIS | VAL | ASP | MET | ALA | LYS | LYS | ||||
| 5 | GLU | THR | VAL | TRP | ARG | LEU | GLU | GLU | PHE | GLY | ||||
| 6 | ARG | PHE | ALA | SER | PHE | GLU | ALA | GLN | GLY | ALA | ||||
| 7 | LEU | ALA | ASN | ILE | ALA | VAL | ASP | LYS | ALA | ASN | ||||
| 8 | LEU | GLU | ILE | MET | THR | LYS | ARG | SER | ASN | TYR | ||||
| 9 | THR | PRO | ILE | THR | ASN | VAL | PRO | PRO | GLU | VAL | ||||
| 10 | THR | VAL | LEU | THR | ASN | SER | PRO | VAL | GLU | LEU | ||||
| 11 | ARG | GLU | PRO | ASN | VAL | LEU | ILE | CYS | PHE | ILE | ||||
| 12 | ASP | LYS | PHE | THR | PRO | PRO | VAL | VAL | ASN | VAL | ||||
| 13 | THR | TRP | LEU | ARG | ASN | GLY | LYS | PRO | VAL | THR | ||||
| 14 | THR | GLY | VAL | SER | GLU | THR | VAL | PHE | LEU | PRO | ||||
| 15 | ARG | GLU | ASP | HIS | LEU | PHE | ARG | LYS | PHE | HIS | ||||
| 16 | TYR | LEU | PRO | PHE | LEU | PRO | SER | THR | GLU | ASP | ||||
| 17 | VAL | TYR | ASP | CYS | ARG | VAL | GLU | HIS | TRP | GLY | ||||
| 18 | LEU | ASP | GLU | PRO | LEU | LEU | LYS | HIS | TRP | GLU | ||||
| 19 | PHE | ASP | ALA | PRO | SER | PRO | LEU | PRO | GLU | THR | ||||
| 20 | THR | GLU | ASN |
Entity 2, HLA-DR1_beta_subunit 199 residues - Formula weight is not available
| 1 | MET | GLY | ASP | THR | ARG | PRO | ARG | PHE | LEU | TRP | ||||
| 2 | GLN | LEU | LYS | PHE | GLU | CYS | HIS | PHE | PHE | ASN | ||||
| 3 | GLY | THR | GLU | ARG | VAL | ARG | LEU | LEU | GLU | ARG | ||||
| 4 | CYS | ILE | TYR | ASN | GLN | GLU | GLU | SER | VAL | ARG | ||||
| 5 | PHE | ASP | SER | ASP | VAL | GLY | GLU | TYR | ARG | ALA | ||||
| 6 | VAL | THR | GLU | LEU | GLY | ARG | PRO | ASP | ALA | GLU | ||||
| 7 | TYR | TRP | ASN | SER | GLN | LYS | ASP | LEU | LEU | GLU | ||||
| 8 | GLN | ARG | ARG | ALA | ALA | VAL | ASP | THR | TYR | CYS | ||||
| 9 | ARG | HIS | ASN | TYR | GLY | VAL | GLY | GLU | SER | PHE | ||||
| 10 | THR | VAL | GLN | ARG | ARG | VAL | GLU | PRO | LYS | VAL | ||||
| 11 | THR | VAL | TYR | PRO | SER | LYS | THR | GLN | PRO | LEU | ||||
| 12 | GLN | HIS | HIS | ASN | LEU | LEU | VAL | CYS | SER | VAL | ||||
| 13 | SER | GLY | PHE | TYR | PRO | GLY | SER | ILE | GLU | VAL | ||||
| 14 | ARG | TRP | PHE | ARG | ASN | GLY | GLN | GLU | GLU | LYS | ||||
| 15 | ALA | GLY | VAL | VAL | SER | THR | GLY | LEU | ILE | GLN | ||||
| 16 | ASN | GLY | ASP | TRP | THR | PHE | GLN | THR | LEU | VAL | ||||
| 17 | MET | LEU | GLU | THR | VAL | PRO | ARG | SER | GLY | GLU | ||||
| 18 | VAL | TYR | THR | CYS | GLN | VAL | GLU | HIS | PRO | SER | ||||
| 19 | VAL | THR | SER | PRO | LEU | THR | VAL | GLU | TRP | ARG | ||||
| 20 | ALA | ARG | SER | GLU | SER | ALA | GLN | SER | LYS |
Entity 3, CLIP102-120 19 residues - Formula weight is not available
class II-associated invariant chain-derived peptide
| 1 | LYS | PRO | VAL | SER | LYS | MET | ARG | MET | ALA | THR | ||||
| 2 | PRO | LEU | LEU | MET | GLN | ALA | LEU | PRO | MET |
Samples:
Sample_DRalpha_CLIP102-120: HLA-DR1_alpha_subunit, [U-13C; U-15N; U-2H], 280 uM; HLA-DR1_beta_subunit 280 uM; CLIP102-120 280 uM
sample_conditions_1: ionic strength: 150 mM; pH: 5.8; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | Sample_DRalpha_CLIP102-120 | isotropic | sample_conditions_1 |
| 3D HNCO | Sample_DRalpha_CLIP102-120 | isotropic | sample_conditions_1 |
| 3D HNCA | Sample_DRalpha_CLIP102-120 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | Sample_DRalpha_CLIP102-120 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | Sample_DRalpha_CLIP102-120 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | Sample_DRalpha_CLIP102-120 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection, processing
Analysis, CCPN - chemical shift assignment
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 700 MHz
- Bruker Avance 900 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks