Research workbench
Crystal structure of B4.2.3 T-cell receptor
Analyse Crystal structure of B4.2.3 T-cell receptor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5IW1
- Type
- protein
- Length
- 1,266 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- T-cell receptor alpha chain; T-cell receptor beta chain
- Pockets
- 20 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 5% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E | T-cell receptor alpha chain | protein | 189 | 2% helix, 44% strand | — |
| B, D, F | T-cell receptor beta chain | protein | 233 | 7% helix, 53% strand | — |
Pockets
20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 962 | 0.73 | 0.77 | 83 | empty |
| 2 | 1096 | 0.73 | 0.76 | 96 | empty |
| 3 | 812 | 0.69 | 0.76 | 65 | empty |
| 4 | 428 | 0.61 | 0.76 | 40 | empty |
| 5 | 328 | 0.56 | 0.76 | 39 | empty |
Interfaces
6 interfaces between chains.
- E–F · 2097 Ų buried · 30 hydrogen bonds · protein-protein
- C–D · 2068 Ų buried · 28 hydrogen bonds · protein-protein
- A–B · 2006 Ų buried · 22 hydrogen bonds · protein-protein
- A–C · 534 Ų buried · 2 hydrogen bonds · protein-protein
- C–E · 228 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 5IW1 · Crystal Structure of B4.2.3 T-Cell Receptor · 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 5IW1 · PDBe 5IW1
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