MolNFT v1 · #91996 · protein
The complex between the high affinity version of A6 TCR (A6C134) and human class I MHC HLA-A2 with the bound tax nonameric peptide
4FTV · HLA class I histocompatibility antigen, a-2 alpha chain: “The complex between the high affinity version of A6 TCR (A6C134) and human class I MHC HLA-A2 with the bound…”. X-ray diffraction, 14 pockets (best druggability 0.71). MolNFT…
- PDB
- 4FTV
- Type
- protein
- Length
- 829 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HLA class I histocompatibility antigen, a-2 alpha chain; Beta-2-microglobulin; Protein…
- UniProt
- P01892, P61769, P0C213
- Pockets
- 14 · best druggability 0.71
Structure
x-ray diffraction · 5 distinct chains · 11% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HLA class I histocompatibility antigen, a-2 alpha chain | protein | 275 | 26% helix, 39% strand | P01892 |
| B | Beta-2-microglobulin | protein | 100 | 0% helix, 49% strand | P61769 |
| C | Protein tax-1 | protein | 9 | 0% helix, 0% strand | P0C213 |
| D | A6 alpha chain | protein | 200 | 2% helix, 43% strand | — |
| E | A6 beta chain | protein | 245 | 6% helix, 49% strand | — |
Ligands and binding sites
- GOL · Glycerol · additive · 10 copies · chains A, C, D, B, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1000 | 0.71 | 0.75 | 86 | empty |
| 2 | 590 | 0.67 | 0.77 | 55 | empty |
| 3 | 124 | 0.46 | 0.78 | 30 | empty |
| 4 | 98 | 0.43 | 0.78 | 15 | GOL |
| 5 | 103 | 0.40 | 0.76 | 17 | GOL |
Interfaces
7 interfaces between chains.
- D–E · 2299 Ų buried · 21 hydrogen bonds · protein-protein
- A–B · 1395 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 865 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 686 Ų buried · 9 hydrogen bonds · protein-protein
- C–E · 282 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide (disulfide).
Compared structures
- 4FTV · The complex between the high affinity version of A6 TCR (A6c134) and human Class I MHC… · 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
- Every structure of UniProt P0C213
- Elsewhere: RCSB PDB 4FTV · PDBe 4FTV · UniProt P01892 · UniProt P61769 · UniProt P0C213
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