MolNFT v1 · #77326 · protein
Crystal structure analysis of class-I MHC restricted T-cell associated molecule
3RBG · Cytotoxic and regulatory T-cell molecule: “Crystal structure analysis of class-I MHC restricted T-cell associated molecule”. X-ray diffraction, 1 ligand (PO4), 3 pockets (best druggability 0.45). MolNFT v1 #77326 on GenesisL1: 3D…
- PDB
- 3RBG
- Type
- protein
- Length
- 401 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytotoxic and regulatory T-cell molecule
- UniProt
- O95727
- Ligands
- PO4
- Pockets
- 3 · best druggability 0.45
Structure
x-ray diffraction · 4 distinct chains · 3% helix, 55% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytotoxic and regulatory T-cell molecule | protein | 99 | 3% helix, 56% strand | O95727 |
| B | Cytotoxic and regulatory T-cell molecule | protein | 99 | 3% helix, 56% strand | O95727 |
| C | Cytotoxic and regulatory T-cell molecule | protein | 100 | 3% helix, 55% strand | O95727 |
| D | Cytotoxic and regulatory T-cell molecule | protein | 103 | 3% helix, 53% strand | O95727 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 172 | 0.45 | 0.75 | 24 | empty |
| 2 | 177 | 0.44 | 0.74 | 29 | empty |
| 3 | 60 | 0.28 | 0.74 | 22 | empty |
Interfaces
3 interfaces between chains.
- A–C · 756 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 381 Ų buried · 7 hydrogen bonds · protein-protein
- A–D · 364 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3RBG · Crystal structure analysis of Class-I MHC restricted T-cell associated molecule · the same entry in another collection · chain A against A, TM-score 1.00
- O95727 · AlphaFold monomer V2.0 prediction for cytotoxic and regulatory T-cell molecule (O95727) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 O95727
- Elsewhere: RCSB PDB 3RBG · PDBe 3RBG · UniProt O95727
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