MolNFT v1 · #69923 · protein
Crystal complex of N-terminal human maltase-glucoamylase with miglitol
3L4W · Maltase-glucoamylase, intestinal: “Crystal complex of N-terminal human maltase-glucoamylase with miglitol”. X-ray diffraction, 2 ligands (MIG, NAG), 13 pockets (best druggability 0.69). MolNFT v1 #69923 on GenesisL1: 3D structure…
- PDB
- 3L4W
- Type
- protein
- Length
- 863 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maltase-glucoamylase, intestinal
- EC
- 3.2.1.20, 3.2.1.3
- UniProt
- O43451
- Ligands
- MIG, NAG
- Pockets
- 13 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 21% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Maltase-glucoamylase, intestinal (EC 3.2.1.20, 3.2.1.3) | protein | 863 | 21% helix, 30% strand | O43451 |
Ligands and binding sites
- MIG · (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl) piperidine-3,4,5-triol · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A
- GOL · Glycerol · additive · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 121 | 0.69 | 0.91 | 22 | empty |
| 2 | 231 | 0.67 | 0.84 | 39 | GOL |
| 3 | 116 | 0.48 | 0.80 | 25 | MIG |
| 4 | 121 | 0.47 | 0.79 | 19 | empty |
| 5 | 120 | 0.46 | 0.79 | 23 | empty |
Modifications
Observed in the structure: 4 glycan, 2 disulfide (N-glycosylation, disulfide).
Compared structures
- 3L4W · Crystal complex of N-terminal Human Maltase-Glucoamylase with miglitol · the same entry in another collection · chain A against A, TM-score 1.00
- O43451 · AlphaFold monomer V2.0 prediction for maltase-glucoamylase, intestinal (O43451) · a predicted model of the same protein · 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 O43451
- Elsewhere: RCSB PDB 3L4W · PDBe 3L4W · UniProt O43451
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