MolNFT v1 · #58417 · protein
Crystal structure of F. graminearum TRI101 complexed with ethyl coenzyme a
3B30 · Trichothecene 3-O-acetyltransferase: “Crystal structure of F. graminearum TRI101 complexed with ethyl coenzyme a”. X-ray diffraction, 1 ligand (ETB), 3 pockets (best druggability 0.78). MolNFT v1 #58417 on GenesisL1: 3D structure…
- PDB
- 3B30
- Type
- protein
- Length
- 446 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trichothecene 3-O-acetyltransferase
- UniProt
- Q9HDE2
- Ligands
- ETB
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Trichothecene 3-O-acetyltransferase | protein | 446 | 34% helix, 23% strand | Q9HDE2 |
Ligands and binding sites
- ETB · Ethyl Coenzyme A · ligand · chains A
- MPO · 3[N-morpholino]propane sulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 554 | 0.78 | 0.84 | 64 | ETB |
| 2 | 157 | 0.49 | 0.78 | 27 | empty |
| 3 | 66 | 0.29 | 0.74 | 18 | empty |
Compared structures
- 3B30 · Crystal Structure of F. graminearum TRI101 complexed with Ethyl Coenzyme A · 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 Q9HDE2
- Elsewhere: RCSB PDB 3B30 · PDBe 3B30 · UniProt Q9HDE2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.