MolNFT v1 · #121269 · protein
A glycoside hydrolase family 97 enzyme in complex with acarbose from pseudoalteromonas sp. strain K8
5HQA · Alpha-glucosidase: “A glycoside hydrolase family 97 enzyme in complex with acarbose from pseudoalteromonas sp. strain K8”. X-ray diffraction, 6 ligands (AC1, GLC, CA), 7 pockets (best druggability 0.76). MolNFT v1 #121269 on…
- PDB
- 5HQA
- Type
- protein
- Length
- 662 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-glucosidase
- UniProt
- A0A0Y0DFX2
- Ligands
- AC1, GLC, CA, MG, CL, UNX
- Pockets
- 7 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 18% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-glucosidase | protein | 662 | 18% helix, 37% strand | A0A0Y0DFX2 |
Ligands and binding sites
- AC1 · 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose · ligand · chains A
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A
- CA · Calcium ion · metal · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- UNX · Unknown atom or ion · ion · chains A
- FMT · Formic acid · additive · 4 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 100 | 0.76 | 0.97 | 26 | empty |
| 2 | 196 | 0.58 | 0.80 | 27 | GLC, AC1, GOL |
| 3 | 50 | 0.45 | 0.85 | 14 | empty |
| 4 | 52 | 0.43 | 0.84 | 17 | empty |
| 5 | 112 | 0.37 | 0.74 | 20 | empty |
Compared structures
- 5HQA · A Glycoside Hydrolase Family 97 enzyme in complex with Acarbose from Pseudoalteromonas… · 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 A0A0Y0DFX2
- Elsewhere: RCSB PDB 5HQA · PDBe 5HQA · UniProt A0A0Y0DFX2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.