MolNFT v1 · #24303 · protein
The structure of endo-beta-1,4-galactanase from bacillus licheniformis in complex with two oligosaccharide products.
1UR4: “The structure of endo-beta-1,4-galactanase from bacillus licheniformis in complex with two oligosaccharide…”. X-ray diffraction, 2 ligands (GAL, CA), 4 pockets (best druggability 0.67). MolNFT v1 #24303 on GenesisL1: 3D structure…
- PDB
- 1UR4
- 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
- 4 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 38% 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 · 4 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B
- PGE · Triethylene glycol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 357 | 0.67 | 0.80 | 32 | GAL |
| 2 | 330 | 0.64 | 0.80 | 35 | GAL |
| 3 | 607 | 0.64 | 0.75 | 56 | empty |
| 4 | 54 | 0.25 | 0.72 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 309 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1UR4 · 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 1UR4 · PDBe 1UR4
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