MolNFT v1 · #54382 · protein
Structure of alpha-galactosidase from lactobacillus acidophilus ncfm, PTCL4 derivative
2XN0: “Structure of alpha-galactosidase from lactobacillus acidophilus ncfm, PTCL4 derivative”. X-ray diffraction, 1 ligand (PT), 20 pockets (best druggability 0.82). MolNFT v1 #54382 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2XN0
- Type
- protein
- Length
- 1,458 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-galactosidase
- EC
- 3.2.1.22
- UniProt
- Q7WWP9
- Ligands
- PT
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 22% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Alpha-galactosidase (EC 3.2.1.22) | protein | 729 | 22% helix, 32% strand | Q7WWP9 |
Ligands and binding sites
- PT · Platinum (II) ion · metal · 17 copies · chains A, B
- GOL · Glycerol · additive · 13 copies · chains A, 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, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 505 | 0.82 | 0.88 | 58 | empty |
| 2 | 83 | 0.76 | 0.99 | 19 | empty |
| 3 | 77 | 0.76 | 0.99 | 19 | empty |
| 4 | 319 | 0.61 | 0.79 | 40 | GOL |
| 5 | 315 | 0.59 | 0.77 | 40 | GOL |
Interfaces
1 interface between chains.
- A–B · 3223 Ų buried · 48 hydrogen bonds · protein-protein
Compared structures
- 2XN0 · Structure of alpha-galactosidase from Lactobacillus acidophilus NCFM, PtCl4 derivative · 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 Q7WWP9
- Elsewhere: RCSB PDB 2XN0 · PDBe 2XN0 · UniProt Q7WWP9
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