Research workbench
Crystal structure of the 2B4 TCR
Analyse Crystal structure of the 2B4 TCR in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QJF
- Type
- protein
- Length
- 867 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2B4 alpha chain; 2B4 beta chain
- Pockets
- 14 · best druggability 0.76
Structure
x-ray diffraction · 4 distinct chains · 6% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2B4 alpha chain | protein | 195 | 3% helix, 50% strand | — |
| B | 2B4 beta chain | protein | 240 | 8% helix, 50% strand | — |
| C | 2B4 alpha chain | protein | 193 | 5% helix, 51% strand | — |
| D | 2B4 beta chain | protein | 239 | 8% helix, 51% strand | — |
Pockets
14 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 821 | 0.76 | 0.80 | 81 | empty |
| 2 | 524 | 0.70 | 0.80 | 55 | empty |
| 3 | 137 | 0.51 | 0.80 | 28 | empty |
| 4 | 108 | 0.45 | 0.79 | 21 | empty |
| 5 | 174 | 0.44 | 0.74 | 34 | empty |
Interfaces
5 interfaces between chains.
- C–D · 2236 Ų buried · 33 hydrogen bonds · protein-protein
- A–B · 2191 Ų buried · 30 hydrogen bonds · protein-protein
- A–C · 793 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 221 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 160 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 3QJF · Crystal structure of the 2B4 TCR · 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 3QJF · PDBe 3QJF
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