MolNFT v1 · #187026 · protein
T cell receptor CO3
7RYL · T cell receptor gamma variable 4,T cell receptor beta…: “T cell receptor CO3”. X-ray diffraction, 1 ligand (SO4), 6 pockets (best druggability 0.74). MolNFT v1 #187026 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7RYL
- Type
- protein
- Length
- 432 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- T cell receptor gamma variable 4,T cell receptor beta constant 1; T cell receptor delta…
- UniProt
- A0A0C4DH28, P01850, A0A1B0GX56, P01848
- Ligands
- SO4
- Pockets
- 6 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | T cell receptor gamma variable 4,T cell receptor beta constant 1 | protein | 239 | 7% helix, 45% strand | A0A0C4DH28, P01850 |
| D | T cell receptor delta variable 1,T cell receptor alpha chain constant | protein | 193 | 5% helix, 49% strand | A0A1B0GX56, P01848 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1007 | 0.74 | 0.77 | 71 | SO4 |
| 2 | 91 | 0.34 | 0.74 | 16 | empty |
| 3 | 65 | 0.33 | 0.76 | 19 | empty |
| 4 | 50 | 0.32 | 0.78 | 15 | empty |
| 5 | 58 | 0.28 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- C–D · 2312 Ų buried · 29 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 7RYL · T cell receptor CO3 · the same entry in another collection · chain C against C, TM-score 1.00
- P01850 · AlphaFold monomer V2.0 prediction for T cell receptor beta constant 1 (P01850) · a predicted model of the same protein · chain C against A, TM-score 0.53
- P01848 · AlphaFold monomer V2.0 prediction for T cell receptor alpha chain constant (P01848) · a predicted model of the same protein · chain D against A, TM-score 0.39
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 A0A0C4DH28
- Every structure of UniProt P01850
- Every structure of UniProt A0A1B0GX56
- Every structure of UniProt P01848
- Elsewhere: RCSB PDB 7RYL · PDBe 7RYL · UniProt A0A0C4DH28 · UniProt P01850 · UniProt A0A1B0GX56 · UniProt P01848
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