MolNFT v1 · #107497 · protein
Crystal structure of translocator protein 18KDA (tspo) from rhodobacter sphaeroides (A139T mutant) in P212121 space group
4UC2 · Translocator protein tspo: “Crystal structure of translocator protein 18KDA (tspo) from rhodobacter sphaeroides (A139T mutant) in P212121…”. X-ray diffraction, 2 pockets (best druggability 0.72). MolNFT v1 #107497 on GenesisL1: 3D…
- PDB
- 4UC2
- Type
- protein
- Length
- 311 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Translocator protein tspo
- UniProt
- Q9RFC8
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 75% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Translocator protein tspo | protein | 156 | 74% helix, 0% strand | Q9RFC8 |
| B | Translocator protein tspo | protein | 155 | 75% helix, 0% strand | Q9RFC8 |
Ligands and binding sites
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 6 copies · chains A, B
- PG4 · Tetraethylene glycol · additive · chains 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 217 | 0.72 | 0.87 | 33 | empty |
| 2 | 175 | 0.66 | 0.85 | 29 | OLC |
Interfaces
1 interface between chains.
- A–B · 1271 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4UC2 · Crystal structure of translocator protein 18kDa (TSPO) from rhodobacter sphaeroides… · 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 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 Q9RFC8
- Elsewhere: RCSB PDB 4UC2 · PDBe 4UC2 · UniProt Q9RFC8
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