MolNFT v1 · #19714 · protein
Structure of A6-TCR bound to HLA-A2 complexed with altered HTLV-1 tax peptide Y8A
1QSF · MHC class I HLA-a: “Structure of A6-TCR bound to HLA-A2 complexed with altered HTLV-1 tax peptide Y8A”. X-ray diffraction, 13 pockets (best druggability 0.70). MolNFT v1 #19714 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 1QSF
- Type
- protein
- Length
- 826 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MHC class I HLA-a; Beta-2 microglobulin; Tax peptide Y8A; Human T-cell receptor
- UniProt
- P01892, P61769
- Pockets
- 13 · best druggability 0.70
Structure
x-ray diffraction · 5 distinct chains · 11% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MHC class I HLA-a | protein | 274 | 26% helix, 37% strand | P01892 |
| B | Beta-2 microglobulin | protein | 100 | 0% helix, 49% strand | P61769 |
| C | Tax peptide Y8A | protein | 9 | 0% helix, 0% strand | — |
| D | Human T-cell receptor | protein | 200 | 4% helix, 41% strand | — |
| E | Human T-cell receptor | protein | 243 | 6% helix, 44% strand | — |
Pockets
13 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 934 | 0.70 | 0.75 | 78 | empty |
| 2 | 704 | 0.69 | 0.77 | 60 | empty |
| 3 | 221 | 0.50 | 0.76 | 35 | empty |
| 4 | 105 | 0.47 | 0.80 | 29 | empty |
| 5 | 109 | 0.45 | 0.79 | 24 | empty |
Interfaces
7 interfaces between chains.
- D–E · 2074 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1328 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 809 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 680 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 232 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide (disulfide).
Compared structures
- 1QSF · Structure of A6-TCR bound to HLA-A2 complexed with altered HTLV-1 tax peptide Y8A · the same entry in another collection · chain A against A, TM-score 1.00
- P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain B against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P01892
- Every structure of UniProt P61769
- Elsewhere: RCSB PDB 1QSF · PDBe 1QSF · UniProt P01892 · UniProt P61769
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