MolNFT v1 · #86549 · protein
Crystal structure of AGD31B, alpha-transglucosylase, complexed with 5F-alpha-glcf
4BA0 · Alpha-glucosidase, putative, ADG31B: “Crystal structure of AGD31B, alpha-transglucosylase, complexed with 5F-alpha-glcf”. X-ray diffraction, 3 ligands (ARG, 5GF, SO4), 7 pockets (best druggability 0.55). MolNFT v1 #86549 on…
- PDB
- 4BA0
- Type
- protein
- Length
- 781 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-glucosidase, putative, ADG31B
- EC
- 3.2.1.20
- UniProt
- B3PEE6
- Ligands
- ARG, 5GF, SO4
- Pockets
- 7 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 22% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-glucosidase, putative, ADG31B (EC 3.2.1.20) | protein | 781 | 22% helix, 33% strand | B3PEE6 |
Ligands and binding sites
- ARG · Arginine · ligand · chains A
- 5GF · 5-fluoro-beta-D-glucopyranose · ligand · chains A
- SO4 · Sulfate ion · ion · 7 copies · chains A
- EDO · 1,2-ethanediol · additive · chains A
- PGE · Triethylene glycol · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 222 | 0.55 | 0.78 | 33 | empty |
| 2 | 112 | 0.55 | 0.83 | 24 | 5GF |
| 3 | 182 | 0.53 | 0.79 | 33 | empty |
| 4 | 52 | 0.47 | 0.85 | 17 | empty |
| 5 | 63 | 0.38 | 0.79 | 22 | empty |
Modifications
Observed in the structure: 1 covalent, 1 disulfide (covalent ligand, disulfide).
Compared structures
- 4BA0 · Crystal Structure of Agd31B, alpha-transglucosylase, complexed with 5F-alpha-GlcF · the same entry in another collection · chain A against A, TM-score 1.00
- B3PEE6 · AlphaFold monomer V2.0 prediction for oligosaccharide 4-alpha-D- glucosyltransferase… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 B3PEE6
- Elsewhere: RCSB PDB 4BA0 · PDBe 4BA0 · UniProt B3PEE6
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