MolNFT v1 · #102327 · protein
3D structure of GAN42B, a GH42 beta-galactosidase from G.
4OIF: “3D structure of GAN42B, a GH42 beta-galactosidase from G.”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.82). MolNFT v1 #102327 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4OIF
- Type
- protein
- Length
- 2,053 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-galactosidase
- EC
- 3.2.1.23
- UniProt
- F8TRX0
- Ligands
- ZN
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-galactosidase (EC 3.2.1.23) | protein | 685 | 34% helix, 24% strand | F8TRX0 |
| B, C | Beta-galactosidase (EC 3.2.1.23) | protein | 684 | 34% helix, 24% strand | F8TRX0 |
Ligands and binding sites
- ZN · Zinc ion · metal · 3 copies · chains A, B, C
- GOL · Glycerol · additive · 25 copies · chains A, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 311 | 0.82 | 0.92 | 39 | GOL |
| 2 | 331 | 0.81 | 0.91 | 40 | GOL |
| 3 | 289 | 0.81 | 0.92 | 42 | GOL |
| 4 | 456 | 0.65 | 0.78 | 60 | GOL |
| 5 | 437 | 0.63 | 0.77 | 62 | GOL |
Interfaces
3 interfaces between chains.
- A–C · 2356 Ų buried · 38 hydrogen bonds · protein-protein
- A–B · 2355 Ų buried · 40 hydrogen bonds · protein-protein
- B–C · 2334 Ų buried · 37 hydrogen bonds · protein-protein
Compared structures
- 4OIF · 3D structure of Gan42B, a GH42 beta-galactosidase from G. · 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 F8TRX0
- Elsewhere: RCSB PDB 4OIF · PDBe 4OIF · UniProt F8TRX0
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