MolNFT v1 · #56769 · protein
Crystal structure of susb complexed with acarbose
2ZQ0 · Alpha-glucosidase (alpha-glucosidase susb): “Crystal structure of susb complexed with acarbose”. X-ray diffraction, 3 ligands (AC1, GLC, CA), 11 pockets (best druggability 0.78). MolNFT v1 #56769 on GenesisL1: 3D structure, binding…
- PDB
- 2ZQ0
- Type
- protein
- Length
- 1,409 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-glucosidase (alpha-glucosidase susb)
- EC
- 3.2.1.20
- UniProt
- P71094
- Ligands
- AC1, GLC, CA
- Pockets
- 11 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 20% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-glucosidase (alpha-glucosidase susb) (EC 3.2.1.20) | protein | 704 | 20% helix, 35% strand | P71094 |
| B | Alpha-glucosidase (alpha-glucosidase susb) (EC 3.2.1.20) | protein | 705 | 20% helix, 35% strand | P71094 |
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 · 2 copies · chains A, B
- GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 161 | 0.78 | 0.94 | 32 | empty |
| 2 | 146 | 0.78 | 0.95 | 32 | empty |
| 3 | 97 | 0.77 | 0.98 | 32 | empty |
| 4 | 89 | 0.77 | 0.98 | 23 | empty |
| 5 | 731 | 0.76 | 0.81 | 92 | empty |
Interfaces
1 interface between chains.
- A–B · 1570 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 2ZQ0 · Crystal structure of SusB complexed with acarbose · 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 P71094
- Elsewhere: RCSB PDB 2ZQ0 · PDBe 2ZQ0 · UniProt P71094
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