MolNFT v1 · #144971 · protein
The crystal structure of the W169Y mutant of alpha-glucosidase (gh 31) from ruminococcus obeum atcc 29174 in complex with miglitol
6CA3 · Glycosyl hydrolase, family 31: “The crystal structure of the W169Y mutant of alpha-glucosidase (gh 31) from ruminococcus obeum atcc 29174 in…”. X-ray diffraction, 1 ligand (MIG), 11 pockets (best druggability 0.87). MolNFT v1…
- PDB
- 6CA3
- Type
- protein
- Length
- 1,331 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycosyl hydrolase, family 31
- EC
- 3.2.1.-
- UniProt
- A5ZY13
- Ligands
- MIG
- Pockets
- 11 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycosyl hydrolase, family 31 (EC 3.2.1.-) | protein | 666 | 27% helix, 26% strand | A5ZY13 |
| B | Glycosyl hydrolase, family 31 (EC 3.2.1.-) | protein | 665 | 28% helix, 26% strand | A5ZY13 |
Ligands and binding sites
- MIG · (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl) piperidine-3,4,5-triol · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 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, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 885 | 0.87 | 0.89 | 93 | empty |
| 2 | 549 | 0.66 | 0.77 | 65 | MIG |
| 3 | 254 | 0.61 | 0.81 | 28 | empty |
| 4 | 295 | 0.59 | 0.77 | 33 | MIG |
| 5 | 135 | 0.57 | 0.83 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 2675 Ų buried · 43 hydrogen bonds · protein-protein
Compared structures
- 6CA3 · THE CRYSTAL STRUCTURE OF THE W169Y MUTANT OF ALPHA-GLUCOSIDASE (GH 31) FROM RUMINOCOCCUS… · 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 A5ZY13
- Elsewhere: RCSB PDB 6CA3 · PDBe 6CA3 · UniProt A5ZY13
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.