MolNFT v1 · #118611 · protein
Crystal structure of family 31 alpha-glucosidase (BT_0339) from bacteroides thetaiotaomicron
5F7C: “Crystal structure of family 31 alpha-glucosidase (BT_0339) from bacteroides thetaiotaomicron”. X-ray diffraction, 20 pockets (best druggability 0.79). MolNFT v1 #118611 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5F7C
- Type
- protein
- Length
- 2,491 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-glucosidase
- EC
- 3.2.1.20
- UniProt
- Q8AAX3
- Pockets
- 20 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 20% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-glucosidase (EC 3.2.1.20) | protein | 625 | 21% helix, 26% strand | Q8AAX3 |
| B | Alpha-glucosidase (EC 3.2.1.20) | protein | 611 | 21% helix, 24% strand | Q8AAX3 |
| C | Alpha-glucosidase (EC 3.2.1.20) | protein | 632 | 21% helix, 25% strand | Q8AAX3 |
| D | Alpha-glucosidase (EC 3.2.1.20) | protein | 623 | 20% helix, 24% strand | Q8AAX3 |
Pockets
20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 932 | 0.79 | 0.81 | 86 | empty |
| 2 | 1052 | 0.76 | 0.79 | 99 | empty |
| 3 | 784 | 0.74 | 0.79 | 69 | empty |
| 4 | 102 | 0.74 | 0.96 | 22 | empty |
| 5 | 604 | 0.74 | 0.80 | 53 | empty |
Interfaces
4 interfaces between chains.
- B–D · 3270 Ų buried · 45 hydrogen bonds · protein-protein
- A–C · 3193 Ų buried · 49 hydrogen bonds · protein-protein
- C–D · 260 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 188 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5F7C · Crystal structure of Family 31 alpha-glucosidase (BT_0339) from Bacteroides… · 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 Q8AAX3
- Elsewhere: RCSB PDB 5F7C · PDBe 5F7C · UniProt Q8AAX3
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