MolNFT v1 · #107556 · protein
T cell receptor (TRAV22,TRBV7-9) structure
4UDT · T cell receptor alpha chain, T-cell receptor alpha chain C…: “T cell receptor (TRAV22,TRBV7-9) structure”. X-ray diffraction, 3 pockets (best druggability 0.75). MolNFT v1 #107556 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4UDT
- Type
- protein
- Length
- 443 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- T cell receptor alpha chain, T-cell receptor alpha chain C region; Protein TRBV7-9…
- UniProt
- P01848, A0A5A3, A0A5B9
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | T cell receptor alpha chain, T-cell receptor alpha chain C region | protein | 202 | 6% helix, 46% strand | P01848 |
| B | Protein TRBV7-9, T-cell receptor beta-2 chain C region | protein | 241 | 7% helix, 50% strand | A0A5A3, A0A5B9 |
Ligands and binding sites
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 976 | 0.75 | 0.78 | 88 | GOL |
| 2 | 84 | 0.34 | 0.74 | 20 | empty |
| 3 | 55 | 0.31 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 2182 Ų buried · 29 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 4UDT · T cell receptor (TRAV22,TRBV7-9) structure · the same entry in another collection · chain A against A, TM-score 1.00
- A0A5B9 · AlphaFold monomer V2.0 prediction for T cell receptor beta constant 2 (A0A5B9) · a predicted model of the same protein · chain B against A, TM-score 0.53
- P01848 · AlphaFold monomer V2.0 prediction for T cell receptor alpha chain constant (P01848) · a predicted model of the same protein · chain A against A, TM-score 0.44
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 P01848
- Every structure of UniProt A0A5A3
- Every structure of UniProt A0A5B9
- Elsewhere: RCSB PDB 4UDT · PDBe 4UDT · UniProt P01848 · UniProt A0A5A3 · UniProt A0A5B9
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