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The structure of endo-beta-1,4-galactanase from bacillus licheniformis in complex with two oligosaccharide products.
Analyse The structure of endo-beta-1,4-galactanase from bacillus licheniformis in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1UR0
- Type
- protein
- Length
- 773 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Galactanase
- EC
- 3.2.1.89
- Ligands
- GAL, CA
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Galactanase (EC 3.2.1.89) | protein | 386 | 38% helix, 15% strand | — |
| B | Galactanase (EC 3.2.1.89) | protein | 387 | 37% helix, 15% strand | — |
Ligands and binding sites
- GAL · beta-D-galactopyranose · sugar · 6 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- PGE · Triethylene glycol · additive · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 355 | 0.67 | 0.80 | 36 | GAL |
| 2 | 335 | 0.65 | 0.80 | 37 | GAL |
| 3 | 604 | 0.64 | 0.75 | 63 | empty |
Interfaces
1 interface between chains.
- A–B · 246 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1UR0 · The structure of endo-beta-1,4-galactanase from Bacillus licheniformis in complex with… · 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
- Elsewhere: RCSB PDB 1UR0 · PDBe 1UR0
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