Research workbench
High affinity ALPHA24-BETA17 T cell receptor for A2 HLA-melanoma peptide complex
Analyse High affinity ALPHA24-BETA17 T cell receptor for A2 HLA-melanoma peptide complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4JFH
- Type
- protein
- Length
- 444 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ALPHA24 TCR allele; BETA17 TCR allele
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 5% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D | ALPHA24 TCR allele | protein | 200 | 4% helix, 45% strand | — |
| E | BETA17 TCR allele | protein | 244 | 7% helix, 52% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains D, E
- EDO · 1,2-ethanediol · additive · 5 copies · chains D, E
- GOL · Glycerol · additive · chains D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1044 | 0.73 | 0.76 | 87 | SO4 |
| 2 | 153 | 0.52 | 0.80 | 29 | empty |
| 3 | 81 | 0.34 | 0.75 | 22 | GOL |
Interfaces
1 interface between chains.
- D–E · 2227 Ų buried · 33 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 4JFH · High Affinity alpha24-beta17 T Cell Receptor for A2 HLA-Melanoma peptide complex · the same entry in another collection · chain D against D, 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 4JFH · PDBe 4JFH
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.