MolNFT v1 · #47551 · protein
1.B2.D9, a bispecific ALPHA/BETA TCR
2P1Y: “1.B2.D9, a bispecific ALPHA/BETA TCR”. X-ray diffraction, 10 pockets (best druggability 0.56). MolNFT v1 #47551 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2P1Y
- Type
- protein
- Length
- 896 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bispecific ALPHA/BETA TCR
- Pockets
- 10 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 5% helix, 56% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Bispecific ALPHA/BETA TCR | protein | 231 | 7% helix, 53% strand | — |
| E, G | Bispecific ALPHA/BETA TCR | protein | 217 | 3% helix, 59% strand | — |
Pockets
10 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 338 | 0.56 | 0.75 | 34 | empty |
| 2 | 125 | 0.45 | 0.77 | 22 | empty |
| 3 | 198 | 0.44 | 0.73 | 28 | empty |
| 4 | 200 | 0.44 | 0.73 | 32 | empty |
| 5 | 116 | 0.42 | 0.76 | 22 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1029 Ų buried · 10 hydrogen bonds · protein-protein
- E–G · 201 Ų buried · 0 hydrogen bonds · protein-protein
- C–G · 114 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 2P1Y · 1.B2.D9, a bispecific alpha/beta 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 2P1Y · PDBe 2P1Y
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