MolNFT v1 · #119029 · protein
Bacterial beta-glucosidase reveals the structural and functional basis of genetic defects in human glucocerebrosidase 2 (GBA2) disorders
5FJS · Glucosylceramidase: “Bacterial beta-glucosidase reveals the structural and functional basis of genetic defects in human…”. X-ray diffraction, 1 ligand (CA), 17 pockets (best druggability 0.72). MolNFT v1 #119029 on GenesisL1: 3D…
- PDB
- 5FJS
- Type
- protein
- Length
- 1,435 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucosylceramidase
- EC
- 3.2.1.21
- UniProt
- F6BL85
- Ligands
- CA
- Pockets
- 17 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucosylceramidase (EC 3.2.1.21) | protein | 733 | 31% helix, 20% strand | F6BL85 |
| B | Glucosylceramidase (EC 3.2.1.21) | protein | 702 | 31% helix, 18% strand | F6BL85 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 263 | 0.72 | 0.87 | 44 | empty |
| 2 | 317 | 0.70 | 0.84 | 57 | empty |
| 3 | 825 | 0.70 | 0.76 | 70 | empty |
| 4 | 238 | 0.63 | 0.82 | 27 | empty |
| 5 | 87 | 0.60 | 0.87 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 638 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 5FJS · Bacterial beta-glucosidase reveals the structural and functional basis of genetic defects… · 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 F6BL85
- Elsewhere: RCSB PDB 5FJS · PDBe 5FJS · UniProt F6BL85
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