MolNFT v1 · #107498 · protein
Translocator protein 18 kda (tspo) from rhodobacter sphaeroides wild type
4UC3 · Translocator protein tspo: “Translocator protein 18 kda (tspo) from rhodobacter sphaeroides wild type”. X-ray diffraction, 1 ligand (YZY), 2 pockets (best druggability 0.46). MolNFT v1 #107498 on GenesisL1: 3D structure, binding…
- PDB
- 4UC3
- Type
- protein
- Length
- 275 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Translocator protein tspo
- UniProt
- Q9RFC8
- Ligands
- YZY
- Pockets
- 2 · best druggability 0.46
Structure
x-ray diffraction · 2 distinct chains · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Translocator protein tspo | protein | 143 | 78% helix, 0% strand | Q9RFC8 |
| B | Translocator protein tspo | protein | 132 | 83% helix, 0% strand | Q9RFC8 |
Ligands and binding sites
- YZY · (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate · ligand · chains A
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 103 | 0.46 | 0.79 | 22 | OLC |
| 2 | 106 | 0.44 | 0.78 | 24 | OLC, YZY |
Interfaces
1 interface between chains.
- A–B · 1272 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4UC3 · Translocator protein 18 kDa (TSPO) from Rhodobacter sphaeroides wild type · the same entry in another collection · chain A against A, TM-score 1.00
- Q9RFC8 · AlphaFold monomer V2.0 prediction for tryptophan-rich sensory protein (Q9RFC8) · a predicted model of the same protein · chain B against A, TM-score 0.93
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 Q9RFC8
- Elsewhere: RCSB PDB 4UC3 · PDBe 4UC3 · UniProt Q9RFC8
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