MolNFT v1 · #100983 · protein
Structure of the AB18.1 TCR
4NDM · T-cell gamma PROTEIN,T-cell receptor beta-2 chain C region: “Structure of the AB18.1 TCR”. X-ray diffraction, 3 pockets (best druggability 0.71). MolNFT v1 #100983 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4NDM
- Type
- protein
- Length
- 446 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- T-cell gamma PROTEIN,T-cell receptor beta-2 chain C region; Human nkt TCR alpha chain
- UniProt
- A2NUW5, A0A0G2JNG9, Q6PJ56, K7N5M3
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 4% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | T-cell gamma PROTEIN,T-cell receptor beta-2 chain C region | protein | 238 | 7% helix, 50% strand | A2NUW5, A0A0G2JNG9 |
| B | Human nkt TCR alpha chain | protein | 208 | 1% helix, 45% strand | Q6PJ56, K7N5M3 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 906 | 0.71 | 0.76 | 77 | empty |
| 2 | 74 | 0.41 | 0.80 | 25 | empty |
| 3 | 53 | 0.28 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 2271 Ų buried · 27 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 4NDM · Structure of the AB18.1 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
- Every structure of UniProt A2NUW5
- Every structure of UniProt A0A0G2JNG9
- Every structure of UniProt Q6PJ56
- Every structure of UniProt K7N5M3
- Elsewhere: RCSB PDB 4NDM · PDBe 4NDM · UniProt A2NUW5 · UniProt A0A0G2JNG9 · UniProt Q6PJ56 · UniProt K7N5M3
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