BMRB Entry 27248
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27248
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: McShan, Andrew; Natarajan, Kannan; Kumirov, Vlad; Flores-Solis, David; Jiang, Jiansheng; Badstubner, Mareike; Toor, Jugmohit; Bagshaw, Clive; Kovrigin, Evgenii; Margulies, David; Sgourakis, Nikolaos. "Peptide exchange on MHC-I by TAPBPR is driven by a negative allostery release cycle" Nat. Chem. Biol. 14, 811-820 (2018).
PubMed: 29988068
Assembly members:
H2-Dd, polymer, 277 residues, Formula weight is not available
Beta-2_microglobulin, polymer, 100 residues, Formula weight is not available
P18-I10, polymer, 10 residues, Formula weight is not available
Natural source: Common Name: HIV-1 Taxonomy ID: 11676 Superkingdom: Viruses Kingdom: not available Genus/species: Lentivirus HIV-1
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
H2-Dd: MSHSLRYFVTAVSRPGFGEP
RYMEVGYVDNTEFVRFDSDA
ENPRYEPRARWIEQEGPEYW
ERETRRAKGNEQSFRVDLRT
ALRYYNQSAGGSHTLQWMAG
CDVESDGRLLRGYWQFAYDG
CDYIALNEDLKTWTAADMAA
QITRRKWEQAGAAERDRAYL
EGECVEWLRRYLKNGNATLL
RTDPPKAHVTHHRRPEGDVT
LRCWALGFYPADITLTWQLN
GEELTQEMELVETRPAGDGT
FQKWASVVVPLGKEQKYTCH
VEHEGLPEPLTLRWGKE
Beta-2_microglobulin: MIQRTPKIQVYSRHPAENGK
SNFLNCYVSGFHPSDIEVDL
LKNGERIEKVEHSDLSFSKD
WSFYLLYYTEFTPTEKDEYA
CRVNHVTLSQPKIVKWDRDM
P18-I10: RGPGRAFVTI
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 219 |
| 15N chemical shifts | 90 |
| 1H chemical shifts | 195 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Antigen peptide | 3 |
| 2 | Heavy chain | 1 |
| 3 | Light chain | 2 |
Entities:
Entity 3, Antigen peptide 10 residues - Formula weight is not available
| 1 | ARG | GLY | PRO | GLY | ARG | ALA | PHE | VAL | THR | ILE |
Entity 1, Heavy chain 277 residues - Formula weight is not available
| 1 | MET | SER | HIS | SER | LEU | ARG | TYR | PHE | VAL | THR | ||||
| 2 | ALA | VAL | SER | ARG | PRO | GLY | PHE | GLY | GLU | PRO | ||||
| 3 | ARG | TYR | MET | GLU | VAL | GLY | TYR | VAL | ASP | ASN | ||||
| 4 | THR | GLU | PHE | VAL | ARG | PHE | ASP | SER | ASP | ALA | ||||
| 5 | GLU | ASN | PRO | ARG | TYR | GLU | PRO | ARG | ALA | ARG | ||||
| 6 | TRP | ILE | GLU | GLN | GLU | GLY | PRO | GLU | TYR | TRP | ||||
| 7 | GLU | ARG | GLU | THR | ARG | ARG | ALA | LYS | GLY | ASN | ||||
| 8 | GLU | GLN | SER | PHE | ARG | VAL | ASP | LEU | ARG | THR | ||||
| 9 | ALA | LEU | ARG | TYR | TYR | ASN | GLN | SER | ALA | GLY | ||||
| 10 | GLY | SER | HIS | THR | LEU | GLN | TRP | MET | ALA | GLY | ||||
| 11 | CYS | ASP | VAL | GLU | SER | ASP | GLY | ARG | LEU | LEU | ||||
| 12 | ARG | GLY | TYR | TRP | GLN | PHE | ALA | TYR | ASP | GLY | ||||
| 13 | CYS | ASP | TYR | ILE | ALA | LEU | ASN | GLU | ASP | LEU | ||||
| 14 | LYS | THR | TRP | THR | ALA | ALA | ASP | MET | ALA | ALA | ||||
| 15 | GLN | ILE | THR | ARG | ARG | LYS | TRP | GLU | GLN | ALA | ||||
| 16 | GLY | ALA | ALA | GLU | ARG | ASP | ARG | ALA | TYR | LEU | ||||
| 17 | GLU | GLY | GLU | CYS | VAL | GLU | TRP | LEU | ARG | ARG | ||||
| 18 | TYR | LEU | LYS | ASN | GLY | ASN | ALA | THR | LEU | LEU | ||||
| 19 | ARG | THR | ASP | PRO | PRO | LYS | ALA | HIS | VAL | THR | ||||
| 20 | HIS | HIS | ARG | ARG | PRO | GLU | GLY | ASP | VAL | THR | ||||
| 21 | LEU | ARG | CYS | TRP | ALA | LEU | GLY | PHE | TYR | PRO | ||||
| 22 | ALA | ASP | ILE | THR | LEU | THR | TRP | GLN | LEU | ASN | ||||
| 23 | GLY | GLU | GLU | LEU | THR | GLN | GLU | MET | GLU | LEU | ||||
| 24 | VAL | GLU | THR | ARG | PRO | ALA | GLY | ASP | GLY | THR | ||||
| 25 | PHE | GLN | LYS | TRP | ALA | SER | VAL | VAL | VAL | PRO | ||||
| 26 | LEU | GLY | LYS | GLU | GLN | LYS | TYR | THR | CYS | HIS | ||||
| 27 | VAL | GLU | HIS | GLU | GLY | LEU | PRO | GLU | PRO | LEU | ||||
| 28 | THR | LEU | ARG | TRP | GLY | LYS | GLU |
Entity 2, Light chain 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 |
Samples:
triple_labeled_pMHC-I: H2-Dd 1 mM; Beta-2 microglobulin, [U-100% 13C; U-100% 15N], 1 mM; P18-I10 1 mM
AILV_methyl_pMHC-I: H2-Dd 1 mM; Beta-2 microglobulin, [U-15N; U-2H; U-13C; AILV], 1 mM; P18-I10 1 mM
sample_conditions_1: ionic strength: 100 mM; pH: 7.2; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N TROSY-HSQC | AILV_methyl_pMHC-I | isotropic | sample_conditions_1 |
| 2D 1H-13C SOFAST HMQC | AILV_methyl_pMHC-I | isotropic | sample_conditions_1 |
| 3D HNCO | triple_labeled_pMHC-I | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | AILV_methyl_pMHC-I | isotropic | sample_conditions_1 |
| 3D HN(CA)CB | triple_labeled_pMHC-I | isotropic | sample_conditions_1 |
| 3D Hm-CmHm SOFAST NOESY HMQC | AILV_methyl_pMHC-I | isotropic | sample_conditions_1 |
| 3D Cm-CmHm SOFAST HMQC NOESY HMQC | AILV_methyl_pMHC-I | isotropic | sample_conditions_1 |
| 3D Hn-CmHm SOFAST NOESY HMQC | AILV_methyl_pMHC-I | isotropic | sample_conditions_1 |
| 3D Cm-NHn SOFAST HMQC NOESY HMQC | AILV_methyl_pMHC-I | isotropic | sample_conditions_1 |
Software:
SPARKY, Goddard - chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks