Research workbench
Thermoactinomyces vulgaris R-47 alpha-AMYLASE/ACARBOSE complex
Analyse Thermoactinomyces vulgaris R-47 alpha-AMYLASE/ACARBOSE complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1UH3
- Type
- protein
- Length
- 637 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-amylase I
- EC
- 3.2.1.1
- Ligands
- GLD, ACI, HSD, GLC, BGC, CA
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 23% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-amylase I (EC 3.2.1.1) | protein | 637 | 23% helix, 27% strand | — |
Ligands and binding sites
- GLD · 4,6-dideoxy-alpha-D-xylo-hexopyranose · ligand · 3 copies · chains A
- ACI · 6-amino-4-hydroxymethyl-cyclohex-4-ene-1,2,3-triol · ligand · 2 copies · chains A
- HSD · (1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol · ligand · chains A
- GLC · alpha-D-glucopyranose · sugar · 10 copies · chains A
- BGC · beta-D-glucopyranose · sugar · chains A
- CA · Calcium ion · metal · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 279 | 0.69 | 0.84 | 43 | empty |
| 2 | 244 | 0.54 | 0.76 | 34 | GLC, GLD, ACI |
| 3 | 57 | 0.39 | 0.80 | 19 | empty |
| 4 | 56 | 0.29 | 0.75 | 16 | empty |
Compared structures
- 1UH3 · Thermoactinomyces vulgaris R-47 alpha-amylase/acarbose complex · 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 1UH3 · PDBe 1UH3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.