Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52880
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry
Citation: Woodward, Claire; Chaudhuri, Apala; Chen, Xiaojing; White, William; Garcia, K.; Baker, David; Sgourakis, Nikolaos. "Solution mapping of MHC-I:TCR interactions using a minimalistic protein system" Proc. Natl. Acad. Sci. U.S.A. ., .-. (2025).
Assembly members:
entity_1, polymer, 250 residues, Formula weight is not available
entity_2, polymer, 9 residues, Formula weight is not available
entity_3, polymer, 200 residues, Formula weight is not available
entity_4, polymer, 245 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
Entity Sequences (FASTA):
entity_1: DREDVERLLRSVEWAIKAGD
PYSARILVELAREDAEKIGD
ERLRREVEELLRELEELEEE
LARLPKLPPDGSHSMKYIFT
SISRPGRGEPRFIAVGYVDD
TQFVRFDSDAASQRMEPRAP
WIEQEGPEYWDGETRKVKAH
SQTHRVDLGTLRGYYNQSEA
GSHTVQRMYGCDVDENWRFV
RGYHQYAYDGKDYIALKEDL
RSWTAADMAAQTTKHKWEAA
HVAEQLRAYLEGTCVEWLRR
YLENGKETLQ
entity_2: LLFGYPVYV
entity_3: KEVEQNSGPLSVPEGAIASL
NCTYSDRGSQSFFWYRQYSG
KSPELIMSIYSNGDKEDGRF
TAQLNKASQYVSLLIRDSQP
SDSATYLCAVTTDSWGKLQF
GAGTQVVVTPDIQNPDPAVY
QLRDSKSSDKSVCLFTDFDS
QTNVSQSKDSDVYITDKTVL
DMRSMDFKSNSAVAWSNKSD
FACANAFNNSIIPEDTFFPS
entity_4: NAGVTQTPKFQVLKTGQSMT
LQCAQDMNHEYMSWYRQDPG
MGLRLIHYSVGAGITDQGEV
PNGYNVSRSTTEDFPLRLLS
AAPSQTSVYFCASRPGLMSA
QPEQYFGPGTRLTVTEDLKN
VFPPEVAVFEPSEAEISHTQ
KATLVCLATGFYPDHVELSW
WVNGKEVHSGVSTDPQPLKE
QPALNDSRYALSSRLRVSAT
FWQDPRNHFRCQVQFYGLSE
NDEWTQDRAKPVTQIVSAEA
WGRAD
| Data type | Count |
| 15N chemical shifts | 207 |
| 1H chemical shifts | 207 |
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SMART A*02:01 | 1 |
| 2 | TAX9 | 2 |
| 3 | A6c134 a | 3 |
| 4 | A6c134 b | 4 |
Entity 1, SMART A*02:01 250 residues - Formula weight is not available
| 1 | ASP | ARG | GLU | ASP | VAL | GLU | ARG | LEU | LEU | ARG | |
| 2 | SER | VAL | GLU | TRP | ALA | ILE | LYS | ALA | GLY | ASP | |
| 3 | PRO | TYR | SER | ALA | ARG | ILE | LEU | VAL | GLU | LEU | |
| 4 | ALA | ARG | GLU | ASP | ALA | GLU | LYS | ILE | GLY | ASP | |
| 5 | GLU | ARG | LEU | ARG | ARG | GLU | VAL | GLU | GLU | LEU | |
| 6 | LEU | ARG | GLU | LEU | GLU | GLU | LEU | GLU | GLU | GLU | |
| 7 | LEU | ALA | ARG | LEU | PRO | LYS | LEU | PRO | PRO | ASP | |
| 8 | GLY | SER | HIS | SER | MET | LYS | TYR | ILE | PHE | THR | |
| 9 | SER | ILE | SER | ARG | PRO | GLY | ARG | GLY | GLU | PRO | |
| 10 | ARG | PHE | ILE | ALA | VAL | GLY | TYR | VAL | ASP | ASP | |
| 11 | THR | GLN | PHE | VAL | ARG | PHE | ASP | SER | ASP | ALA | |
| 12 | ALA | SER | GLN | ARG | MET | GLU | PRO | ARG | ALA | PRO | |
| 13 | TRP | ILE | GLU | GLN | GLU | GLY | PRO | GLU | TYR | TRP | |
| 14 | ASP | GLY | GLU | THR | ARG | LYS | VAL | LYS | ALA | HIS | |
| 15 | SER | GLN | THR | HIS | ARG | VAL | ASP | LEU | GLY | THR | |
| 16 | LEU | ARG | GLY | TYR | TYR | ASN | GLN | SER | GLU | ALA | |
| 17 | GLY | SER | HIS | THR | VAL | GLN | ARG | MET | TYR | GLY | |
| 18 | CYS | ASP | VAL | ASP | GLU | ASN | TRP | ARG | PHE | VAL | |
| 19 | ARG | GLY | TYR | HIS | GLN | TYR | ALA | TYR | ASP | GLY | |
| 20 | LYS | ASP | TYR | ILE | ALA | LEU | LYS | GLU | ASP | LEU | |
| 21 | ARG | SER | TRP | THR | ALA | ALA | ASP | MET | ALA | ALA | |
| 22 | GLN | THR | THR | LYS | HIS | LYS | TRP | GLU | ALA | ALA | |
| 23 | HIS | VAL | ALA | GLU | GLN | LEU | ARG | ALA | TYR | LEU | |
| 24 | GLU | GLY | THR | CYS | VAL | GLU | TRP | LEU | ARG | ARG | |
| 25 | TYR | LEU | GLU | ASN | GLY | LYS | GLU | THR | LEU | GLN |
Entity 2, TAX9 9 residues - Formula weight is not available
| 1 | LEU | LEU | PHE | GLY | TYR | PRO | VAL | TYR | VAL |
Entity 3, A6c134 a 200 residues - Formula weight is not available
| 1 | LYS | GLU | VAL | GLU | GLN | ASN | SER | GLY | PRO | LEU | |
| 2 | SER | VAL | PRO | GLU | GLY | ALA | ILE | ALA | SER | LEU | |
| 3 | ASN | CYS | THR | TYR | SER | ASP | ARG | GLY | SER | GLN | |
| 4 | SER | PHE | PHE | TRP | TYR | ARG | GLN | TYR | SER | GLY | |
| 5 | LYS | SER | PRO | GLU | LEU | ILE | MET | SER | ILE | TYR | |
| 6 | SER | ASN | GLY | ASP | LYS | GLU | ASP | GLY | ARG | PHE | |
| 7 | THR | ALA | GLN | LEU | ASN | LYS | ALA | SER | GLN | TYR | |
| 8 | VAL | SER | LEU | LEU | ILE | ARG | ASP | SER | GLN | PRO | |
| 9 | SER | ASP | SER | ALA | THR | TYR | LEU | CYS | ALA | VAL | |
| 10 | THR | THR | ASP | SER | TRP | GLY | LYS | LEU | GLN | PHE | |
| 11 | GLY | ALA | GLY | THR | GLN | VAL | VAL | VAL | THR | PRO | |
| 12 | ASP | ILE | GLN | ASN | PRO | ASP | PRO | ALA | VAL | TYR | |
| 13 | GLN | LEU | ARG | ASP | SER | LYS | SER | SER | ASP | LYS | |
| 14 | SER | VAL | CYS | LEU | PHE | THR | ASP | PHE | ASP | SER | |
| 15 | GLN | THR | ASN | VAL | SER | GLN | SER | LYS | ASP | SER | |
| 16 | ASP | VAL | TYR | ILE | THR | ASP | LYS | THR | VAL | LEU | |
| 17 | ASP | MET | ARG | SER | MET | ASP | PHE | LYS | SER | ASN | |
| 18 | SER | ALA | VAL | ALA | TRP | SER | ASN | LYS | SER | ASP | |
| 19 | PHE | ALA | CYS | ALA | ASN | ALA | PHE | ASN | ASN | SER | |
| 20 | ILE | ILE | PRO | GLU | ASP | THR | PHE | PHE | PRO | SER |
Entity 4, A6c134 b 245 residues - Formula weight is not available
| 1 | ASN | ALA | GLY | VAL | THR | GLN | THR | PRO | LYS | PHE | ||||
| 2 | GLN | VAL | LEU | LYS | THR | GLY | GLN | SER | MET | THR | ||||
| 3 | LEU | GLN | CYS | ALA | GLN | ASP | MET | ASN | HIS | GLU | ||||
| 4 | TYR | MET | SER | TRP | TYR | ARG | GLN | ASP | PRO | GLY | ||||
| 5 | MET | GLY | LEU | ARG | LEU | ILE | HIS | TYR | SER | VAL | ||||
| 6 | GLY | ALA | GLY | ILE | THR | ASP | GLN | GLY | GLU | VAL | ||||
| 7 | PRO | ASN | GLY | TYR | ASN | VAL | SER | ARG | SER | THR | ||||
| 8 | THR | GLU | ASP | PHE | PRO | LEU | ARG | LEU | LEU | SER | ||||
| 9 | ALA | ALA | PRO | SER | GLN | THR | SER | VAL | TYR | PHE | ||||
| 10 | CYS | ALA | SER | ARG | PRO | GLY | LEU | MET | SER | ALA | ||||
| 11 | GLN | PRO | GLU | GLN | TYR | PHE | GLY | PRO | GLY | THR | ||||
| 12 | ARG | LEU | THR | VAL | THR | GLU | ASP | LEU | LYS | ASN | ||||
| 13 | VAL | PHE | PRO | PRO | GLU | VAL | ALA | VAL | PHE | GLU | ||||
| 14 | PRO | SER | GLU | ALA | GLU | ILE | SER | HIS | THR | GLN | ||||
| 15 | LYS | ALA | THR | LEU | VAL | CYS | LEU | ALA | THR | GLY | ||||
| 16 | PHE | TYR | PRO | ASP | HIS | VAL | GLU | LEU | SER | TRP | ||||
| 17 | TRP | VAL | ASN | GLY | LYS | GLU | VAL | HIS | SER | GLY | ||||
| 18 | VAL | SER | THR | ASP | PRO | GLN | PRO | LEU | LYS | GLU | ||||
| 19 | GLN | PRO | ALA | LEU | ASN | ASP | SER | ARG | TYR | ALA | ||||
| 20 | LEU | SER | SER | ARG | LEU | ARG | VAL | SER | ALA | THR | ||||
| 21 | PHE | TRP | GLN | ASP | PRO | ARG | ASN | HIS | PHE | ARG | ||||
| 22 | CYS | GLN | VAL | GLN | PHE | TYR | GLY | LEU | SER | GLU | ||||
| 23 | ASN | ASP | GLU | TRP | THR | GLN | ASP | ARG | ALA | LYS | ||||
| 24 | PRO | VAL | THR | GLN | ILE | VAL | SER | ALA | GLU | ALA | ||||
| 25 | TRP | GLY | ARG | ALA | ASP |
sample_1: SMART A*02:01, [U-15N; U-2H], 200 uM; TAX9 500 uM; A6c134 alpha chain 200 uM; A6c134 beta chain 200 uM; sodium phosphate 20 mM; NaCl 100 mM; sodium azide ~1 mM; Roche protease inhibitor ~0.1 x
sample_conditions_1: ionic strength: 100 M; pH: 7.2; pressure: 1 atm; temperature: 37 C
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N TROSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
NMRPipe - processing
Poky - chemical shift assignment
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks