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Crystal structure of frac with poc bound (crystal form I)
Analyse Crystal structure of frac with poc bound (crystal form I) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4TSL
- Type
- protein
- Length
- 356 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fragaceatoxin C
- UniProt
- B9W5G6
- Ligands
- PC, SO4
- Pockets
- 4 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 13% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Fragaceatoxin C | protein | 178 | 13% helix, 47% strand | B9W5G6 |
Ligands and binding sites
- PC · Phosphocholine · ligand · 4 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains B
- FMT · Formic acid · additive · 10 copies · chains A, B
- GOL · Glycerol · additive · chains A
- ACT · Acetate ion · additive · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 265 | 0.51 | 0.75 | 46 | empty |
| 2 | 97 | 0.40 | 0.77 | 18 | empty |
| 3 | 66 | 0.35 | 0.77 | 15 | PC |
| 4 | 57 | 0.30 | 0.75 | 16 | PC |
Interfaces
1 interface between chains.
- A–B · 844 Ų buried · 15 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 4TSL · PDBe 4TSL · UniProt B9W5G6
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