Research workbench
The molecular bases of DELTA/ALPHA-beta T-cell mediated antigen recognition
Analyse The molecular bases of DELTA/ALPHA-beta T-cell mediated antigen recognition in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4WNQ
- Type
- protein
- Length
- 883 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TCR variable delta 1 chain and TCR constant alpha chain; TCR variable beta 2 (TRBV20)…
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 6% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | TCR variable delta 1 chain and TCR constant alpha chain | protein | 200 | 4% helix, 42% strand | — |
| B | TCR variable beta 2 (TRBV20) chain and TCR constant beta chain | protein | 241 | 7% helix, 51% strand | — |
| D | TCR variable beta 2 (TRBV20) chain and TCR constant beta chain | protein | 242 | 7% helix, 52% strand | — |
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1062 | 0.79 | 0.80 | 96 | empty |
| 2 | 1060 | 0.78 | 0.80 | 98 | empty |
| 3 | 423 | 0.70 | 0.81 | 44 | empty |
| 4 | 125 | 0.40 | 0.74 | 18 | empty |
| 5 | 50 | 0.36 | 0.79 | 19 | empty |
Interfaces
5 interfaces between chains.
- A–B · 2368 Ų buried · 29 hydrogen bonds · protein-protein
- C–D · 2349 Ų buried · 28 hydrogen bonds · protein-protein
- A–D · 349 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 137 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 33 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 4WNQ · The molecular bases of DELTA/ALPHA-beta T-cell mediated antigen recognition · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 4WNQ · PDBe 4WNQ
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