MolNFT v1 · #59238 · protein
Crystal structure of the pseudomonas putida toluene transporter todx
3BRZ: “Crystal structure of the pseudomonas putida toluene transporter todx”. X-ray diffraction, 4 pockets (best druggability 0.86). MolNFT v1 #59238 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3BRZ
- Type
- protein
- Length
- 404 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Todx
- UniProt
- Q51971
- Pockets
- 4 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 9% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Todx | protein | 404 | 9% helix, 51% strand | Q51971 |
Ligands and binding sites
- C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 997 | 0.86 | 0.86 | 103 | C8E |
| 2 | 378 | 0.61 | 0.77 | 41 | empty |
| 3 | 85 | 0.43 | 0.80 | 19 | empty |
| 4 | 71 | 0.40 | 0.79 | 19 | empty |
Compared structures
- 3BRZ · Crystal structure of the Pseudomonas putida toluene transporter TodX · 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 Q51971
- Elsewhere: RCSB PDB 3BRZ · PDBe 3BRZ · UniProt Q51971
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