MolNFT v1 · #63945 · protein
Structural and functional characterization of TRI3 trichothecene 15-O- acetyltransferase from fusarium sporotrichioides
3FP0 · 15-O-acetyltransferase: “Structural and functional characterization of TRI3 trichothecene 15-O- acetyltransferase from fusarium…”. X-ray diffraction, 3 ligands (FP0, GLC, Z9N), 6 pockets (best druggability 0.80). MolNFT v1 #63945 on…
- PDB
- 3FP0
- Type
- protein
- Length
- 511 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 15-O-acetyltransferase
- UniProt
- Q9C1B7
- Ligands
- FP0, GLC, Z9N
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 15-O-acetyltransferase | protein | 511 | 41% helix, 22% strand | Q9C1B7 |
Ligands and binding sites
- FP0 · (3alpha)-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate · ligand · chains A
- GLC · alpha-D-glucopyranose · sugar · chains A
- Z9N · alpha-D-fructofuranose · sugar · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 575 | 0.80 | 0.86 | 69 | FP0 |
| 2 | 165 | 0.48 | 0.77 | 31 | empty |
| 3 | 129 | 0.43 | 0.76 | 22 | empty |
| 4 | 80 | 0.32 | 0.74 | 23 | empty |
| 5 | 56 | 0.31 | 0.75 | 17 | empty |
Compared structures
- 3FP0 · Structural and Functional Characterization of TRI3 Trichothecene 15-O-acetyltransferase… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9C1B7 · AlphaFold monomer V2.0 prediction for trichothecene 15-O-acetyltransferase TRI3 (Q9C1B7) · 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 Q9C1B7
- Elsewhere: RCSB PDB 3FP0 · PDBe 3FP0 · UniProt Q9C1B7
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