MolNFT v1 · #91533 · protein
Crystal structure of bacillus subtilis expansin (EXLX1) in complex with hemithiocellodextrin
4FG4 · Expansin-yoaj: “Crystal structure of bacillus subtilis expansin (EXLX1) in complex with hemithiocellodextrin”. X-ray diffraction, 3 ligands (SGC, GS1, BGC), 2 pockets (best druggability 0.49). MolNFT v1 #91533 on GenesisL1: 3D…
- PDB
- 4FG4
- Type
- protein
- Length
- 414 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Expansin-yoaj
- UniProt
- O34918
- Ligands
- SGC, GS1, BGC
- Pockets
- 2 · best druggability 0.49
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Expansin-yoaj | protein | 207 | 5% helix, 41% strand | O34918 |
Ligands and binding sites
- SGC · 4-thio-beta-D-glucopyranose · ligand · 2 copies · chains A, B
- GS1 · 1-thio-beta-D-glucopyranose · ligand · chains A, B
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 242 | 0.49 | 0.74 | 25 | SGC, BGC |
| 2 | 106 | 0.40 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 42 Ų buried · 0 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 O34918
- Elsewhere: RCSB PDB 4FG4 · PDBe 4FG4 · UniProt O34918
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.