MolNFT v1 · #13091 · protein
TCR beta chain complexed with streptococcal superantigen spea
1L0X · 14.3.D T cell receptor beta chain: “TCR beta chain complexed with streptococcal superantigen spea”. X-ray diffraction, 8 pockets (best druggability 0.71). MolNFT v1 #13091 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1L0X
- Type
- protein
- Length
- 914 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 14.3.D T cell receptor beta chain; Exotoxin type a
- UniProt
- P01851, P08095
- Pockets
- 8 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 13% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | 14.3.D T cell receptor beta chain | protein | 236 | 6% helix, 52% strand | P01851 |
| B, D | Exotoxin type a | protein | 221 | 20% helix, 39% strand | P08095 |
Ligands and binding sites
- GOL · Glycerol · additive · 3 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 719 | 0.71 | 0.78 | 72 | GOL |
| 2 | 713 | 0.69 | 0.77 | 70 | GOL |
| 3 | 734 | 0.67 | 0.75 | 52 | empty |
| 4 | 652 | 0.67 | 0.76 | 52 | empty |
| 5 | 166 | 0.50 | 0.78 | 22 | empty |
Interfaces
5 interfaces between chains.
- A–B · 608 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 604 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 569 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 162 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 154 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 1L0X · TCR beta chain complexed with streptococcal superantigen SpeA · the same entry in another collection · chain A against A, TM-score 1.00
- P01851 · AlphaFold monomer V2.0 prediction for T-cell receptor beta-2 chain C region (P01851) · a predicted model of the same protein · chain A against A, TM-score 0.51
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 P01851
- Every structure of UniProt P08095
- Elsewhere: RCSB PDB 1L0X · PDBe 1L0X · UniProt P01851 · UniProt P08095
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.