MolNFT v1 · #91791 · protein
Crystal structure of GH36 alpha-galactosidase agaa from geobacillus stearothermophilus
4FNR: “Crystal structure of GH36 alpha-galactosidase agaa from geobacillus stearothermophilus”. X-ray diffraction, 20 pockets (best druggability 0.83). MolNFT v1 #91791 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4FNR
- Type
- protein
- Length
- 2,872 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-galactosidase agaa
- EC
- 3.2.1.22
- UniProt
- Q9ALJ4
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 21% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Alpha-galactosidase agaa (EC 3.2.1.22) | protein | 718 | 21% helix, 33% strand | Q9ALJ4 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 673 | 0.83 | 0.87 | 61 | empty |
| 2 | 655 | 0.83 | 0.87 | 58 | empty |
| 3 | 971 | 0.81 | 0.83 | 111 | empty |
| 4 | 868 | 0.79 | 0.82 | 90 | empty |
| 5 | 486 | 0.76 | 0.84 | 70 | empty |
Interfaces
6 interfaces between chains.
- B–C · 3388 Ų buried · 77 hydrogen bonds · protein-protein
- A–D · 3385 Ų buried · 73 hydrogen bonds · protein-protein
- C–D · 2152 Ų buried · 37 hydrogen bonds · protein-protein
- A–B · 2086 Ų buried · 37 hydrogen bonds · protein-protein
- B–D · 910 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 4FNR · Crystal structure of GH36 alpha-galactosidase AgaA from Geobacillus stearothermophilus · the same entry in another collection · chain D against D, TM-score 1.00
- Q9ALJ4 · AlphaFold monomer V2.0 prediction for alpha-galactosidase agaa (Q9ALJ4) · a predicted model of the same protein · chain D 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 Q9ALJ4
- Elsewhere: RCSB PDB 4FNR · PDBe 4FNR · UniProt Q9ALJ4
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.