MolNFT v1 · #106870 · protein
Crystal structure of frac with dhpc bound (crystal form I)
4TSO · Fragaceatoxin C: “Crystal structure of frac with dhpc bound (crystal form I)”. X-ray diffraction, 3 ligands (HXG, PO4, SO4), 3 pockets (best druggability 0.62). MolNFT v1 #106870 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4TSO
- Type
- protein
- Length
- 354 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fragaceatoxin C
- UniProt
- B9W5G6
- Ligands
- HXG, PO4, SO4
- Pockets
- 3 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 13% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Fragaceatoxin C | protein | 177 | 13% helix, 47% strand | B9W5G6 |
Ligands and binding sites
- HXG · 1,2-dihexanoyl-sn-glycero-3-phosphocholine · ligand · 5 copies · chains A, B
- PO4 · Phosphate ion · ion · 6 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
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 | 450 | 0.62 | 0.76 | 50 | SO4 |
| 2 | 80 | 0.37 | 0.76 | 15 | HXG |
| 3 | 65 | 0.34 | 0.76 | 14 | HXG |
Interfaces
1 interface between chains.
- A–B · 487 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
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 B9W5G6
- Elsewhere: RCSB PDB 4TSO · PDBe 4TSO · UniProt B9W5G6
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