MolNFT v1 · #102378 · protein
3D structure of the E323A catalytic mutant of GAN42B, a GH42 beta- galactosidase from G. stearothermophilus
4OJY · Beta-galactosidase: “3D structure of the E323A catalytic mutant of GAN42B, a GH42 beta- galactosidase from G. stearothermophilus”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.81). MolNFT v1 #102378 on…
- PDB
- 4OJY
- Type
- protein
- Length
- 2,054 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 0.81
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Beta-galactosidase (EC 3.2.1.23) | protein | 685 | 33% helix, 24% strand | F8TRX0 |
| B | Beta-galactosidase (EC 3.2.1.23) | protein | 684 | 33% helix, 24% strand | F8TRX0 |
Ligands and binding sites
- ZN · Zinc ion · metal · 3 copies · chains A, B, C
- GOL · Glycerol · additive · 9 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 | 345 | 0.81 | 0.91 | 48 | empty |
| 2 | 360 | 0.81 | 0.90 | 45 | empty |
| 3 | 306 | 0.80 | 0.91 | 45 | empty |
| 4 | 54 | 0.69 | 0.97 | 24 | empty |
| 5 | 509 | 0.69 | 0.79 | 57 | GOL |
Interfaces
3 interfaces between chains.
- A–C · 2329 Ų buried · 31 hydrogen bonds · protein-protein
- A–B · 2314 Ų buried · 33 hydrogen bonds · protein-protein
- B–C · 2279 Ų buried · 31 hydrogen bonds · protein-protein
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 4OJY · PDBe 4OJY · UniProt F8TRX0
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